data_1wfn_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 1wfn _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 30' ' ' LEU . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 110' ' ' GLY . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 36' ' ' VAL . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 95' ' ' THR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.605 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 73' ' ' THR . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 72' ' ' VAL . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG11 ' CG ' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.564 HG21 ' CE2' ' A' ' 87' ' ' TYR . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CE2' HG21 ' A' ' 85' ' ' THR . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.541 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.472 ' CG2' HD22 ' A' ' 48' ' ' LEU . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.418 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tt0 -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.461 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.541 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.517 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.44 HG23 ' CA ' ' A' ' 110' ' ' GLY . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.46 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.608 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CE2' HD21 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.62 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 73' ' ' THR . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' CE3' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 109' ' ' SER . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 55' ' ' TRP . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' CG ' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.484 ' CA ' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.44 ' CG2' HD22 ' A' ' 48' ' ' LEU . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.432 ' OE1' ' NE ' ' A' ' 52' ' ' ARG . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.614 ' C ' ' O ' ' A' ' 108' ' ' SER . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 36' ' ' VAL . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' CG2' HG23 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.698 ' CH2' ' NE2' ' A' ' 67' ' ' HIS . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' CG1' ' NE2' ' A' ' 67' ' ' HIS . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.698 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.442 HG23 ' CE1' ' A' ' 87' ' ' TYR . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.555 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.402 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.433 ' CG2' HD21 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 4.3 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' GLY . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 107' ' ' ILE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' CG2' ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 94' ' ' MET . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' CE2' HD21 ' A' ' 74' ' ' LEU . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 76' ' ' TYR . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG22 ' CE3' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.508 ' CG2' HG23 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' THR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.582 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.498 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD2' ' CD1' ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.61 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.617 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.535 HG23 ' CE1' ' A' ' 87' ' ' TYR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 85' ' ' THR . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 55' ' ' TRP . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLY . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.451 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 3.0 tt0 -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.511 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' GLY . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 30' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 110' ' ' GLY . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.473 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' CD1' ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.422 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 ' CE3' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 85' ' ' THR . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.489 HD11 ' CB ' ' A' ' 55' ' ' TRP . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.534 HG21 ' CB ' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.535 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 103' ' ' SER . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 107' ' ' ILE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' CG2' ' A' ' 32' ' ' THR . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 36' ' ' VAL . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.586 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.529 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.6 m-70 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.586 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ASP . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 87' ' ' TYR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 85' ' ' THR . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.502 HG13 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' THR . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 4.9 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.528 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.45 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.513 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 30' ' ' LEU . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 110' ' ' GLY . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.46 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.4 ' N ' HG12 ' A' ' 36' ' ' VAL . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.615 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.487 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.518 ' CB ' HD12 ' A' ' 89' ' ' ILE . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.472 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.1 m-70 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.448 HG21 ' CE3' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 87' ' ' TYR . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.518 HD12 ' CB ' ' A' ' 55' ' ' TRP . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG11 ' CG ' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 4.2 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.538 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.441 ' CB ' HD22 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.562 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.533 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.533 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' NZ ' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.405 ' OG ' ' NZ ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CG ' HG11 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.409 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.531 HG11 ' CG ' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 87' ' ' TYR . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.493 HD13 ' CB ' ' A' ' 55' ' ' TRP . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG11 ' CG ' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.535 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.449 ' CG2' HD11 ' A' ' 48' ' ' LEU . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.482 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 107' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CD1' ' HE3' ' A' ' 94' ' ' MET . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.407 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.48 HG23 ' CD ' ' A' ' 77' ' ' ARG . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.658 ' CD2' ' CD1' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' OH ' ' A' ' 87' ' ' TYR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CD1' ' CD2' ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 55' ' ' TRP . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.471 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 2.7 tt0 -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.52 HG21 ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.507 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 36' ' ' VAL . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 110' ' ' GLY . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.622 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.622 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.427 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 6.3 m-70 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.7 p30 -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.481 HG21 ' CE2' ' A' ' 87' ' ' TYR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG23 ' CE3' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' THR . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.469 ' CG ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 103' ' ' SER . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' HG11 ' A' ' 78' ' ' VAL . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.615 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.506 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.581 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.431 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 1.6 m-70 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.541 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.541 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 55' ' ' TRP . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 38' ' ' TRP . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.506 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 9.3 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.523 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.445 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB1' ' CG ' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.594 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.507 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.509 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' PRO . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG2' HG23 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.665 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.58 ' CD1' ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.612 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.408 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 2.6 m-70 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG11 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.426 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.552 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 85' ' ' THR . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE1' HG21 ' A' ' 85' ' ' THR . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.492 HG23 ' CG2' ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.453 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' CG ' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 6.4 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.451 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.52 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' GLY . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' CG1' ' A' ' 78' ' ' VAL . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.616 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 64.4 m-80 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' MET . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 93' ' ' ALA . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.612 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.447 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.7 m-70 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.587 ' CD1' ' HE1' ' A' ' 94' ' ' MET . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 87' ' ' TYR . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD2' HD23 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.548 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.587 ' HE1' ' CD1' ' A' ' 68' ' ' TYR . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.461 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.431 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 3.7 tt0 -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.548 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.468 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.521 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.521 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.511 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CZ2' HG13 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 55' ' ' TRP . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 87' ' ' TYR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' A' ' 85' ' ' THR . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.575 HG23 ' CE3' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 49' ' ' THR . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.6 tt0 -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.498 HG21 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.499 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 107' ' ' ILE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG1' HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' HD11 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.598 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.598 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG12 ' CG ' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE2' HD23 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 55' ' ' TRP . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 38' ' ' TRP . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.487 ' CG2' HD11 ' A' ' 48' ' ' LEU . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 1.6 tt0 -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.517 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CD2' ' CG1' ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ2' HG13 ' A' ' 65' ' ' VAL . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.576 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 6.6 m-70 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 73' ' ' THR . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 72' ' ' VAL . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.48 ' CG2' HD22 ' A' ' 48' ' ' LEU . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.561 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.449 ' CB ' HD21 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.489 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD1' ' OG ' ' A' ' 105' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CE2' HD22 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' NE ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.606 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.606 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.426 HG22 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CD1' ' HE1' ' A' ' 94' ' ' MET . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.4 p30 -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.549 HG23 ' CE3' ' A' ' 55' ' ' TRP . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.462 ' CG2' ' HD3' ' A' ' 77' ' ' ARG . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.444 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.509 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' GLN . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.479 ' HB ' ' CE ' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.479 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.515 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.515 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.509 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 90' ' ' GLU . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.499 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 36' ' ' VAL . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.432 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.2 m-70 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.634 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.532 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.425 HG21 ' CE1' ' A' ' 87' ' ' TYR . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.594 ' CD1' ' CB ' ' A' ' 55' ' ' TRP . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.569 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' THR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 2.0 tt0 -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.429 ' CB ' HD22 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 107' ' ' ILE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.448 ' C ' HD11 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD21 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.616 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.616 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.444 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 76' ' ' TYR . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.529 ' CE2' HD23 ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CG ' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.541 HG22 ' CE3' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.492 ' CG2' HD11 ' A' ' 48' ' ' LEU . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.507 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.58 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.517 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.24 87.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.8 169.32 9.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.89 -149.14 15.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 p -178.97 107.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 60.4 162.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.86 32.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -116.15 71.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.11 149.14 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -43.54 127.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -114.28 -60.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p 46.08 -168.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -76.76 117.62 18.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.31 138.84 16.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 -89.54 -63.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.542 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 30' ' ' LEU . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 110' ' ' GLY . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 36' ' ' VAL . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 95' ' ' THR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.605 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 73' ' ' THR . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 72' ' ' VAL . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG11 ' CG ' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.564 HG21 ' CE2' ' A' ' 87' ' ' TYR . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CE2' HG21 ' A' ' 85' ' ' THR . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.541 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.472 ' CG2' HD22 ' A' ' 48' ' ' LEU . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.418 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 1.3 tt0 -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.461 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.541 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.517 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.5 Cg_endo -74.99 -24.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.77 77.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.93 163.86 34.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.9 t 71.21 -63.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 p -171.56 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.55 149.35 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -139.85 168.0 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 174.76 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p 57.99 164.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -59.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.29 97.58 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.107 . . . . 0.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.5 42.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 52.85 94.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.38 174.64 8.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -160.97 160.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.55 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.99 166.37 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.49 85.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.96 125.95 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -69.44 -34.39 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 HG23 ' CA ' ' A' ' 110' ' ' GLY . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.46 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.608 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CE2' HD21 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.62 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 73' ' ' THR . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG23 ' CE3' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 109' ' ' SER . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 55' ' ' TRP . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' CG ' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.484 ' CA ' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.44 ' CG2' HD22 ' A' ' 48' ' ' LEU . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.432 ' OE1' ' NE ' ' A' ' 52' ' ' ARG . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.484 HG23 ' CA ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.614 ' C ' ' O ' ' A' ' 108' ' ' SER . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -18.7 18.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.67 86.7 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.8 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.59 14.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.5 p -142.33 137.49 30.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m 63.52 138.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.76 131.8 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.97 152.25 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 155.34 26.09 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -152.42 110.26 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -138.83 164.8 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.22 92.35 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 135.14 53.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 135.1 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 140.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -117.74 107.31 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -132.51 142.39 49.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -81.21 177.44 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.617 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.7 mt-10 -173.5 149.27 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.49 -56.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 36' ' ' VAL . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' CG2' HG23 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.698 ' CH2' ' NE2' ' A' ' 67' ' ' HIS . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' CG1' ' NE2' ' A' ' 67' ' ' HIS . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.698 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.442 HG23 ' CE1' ' A' ' 87' ' ' TYR . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.555 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.433 ' CG2' HD21 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 4.3 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.2 Cg_endo -74.94 -23.73 13.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER 39.39 74.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.02 91.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 m -116.86 -49.45 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.2 m -60.48 -59.08 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -102.88 -58.25 1.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -45.29 -59.2 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 125.99 37.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -178.3 159.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.91 154.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.97 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.82 39.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 179.33 171.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.4 115.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.8 156.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -108.76 121.16 44.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -137.78 115.8 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 94.9 m-70 -83.31 153.77 24.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 176.85 132.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.27 -64.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' GLY . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 107' ' ' ILE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG23 ' CG2' ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.595 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 94' ' ' MET . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' CE2' HD21 ' A' ' 74' ' ' LEU . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 76' ' ' TYR . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG22 ' CE3' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.508 ' CG2' HG23 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' THR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.582 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.498 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -74.96 -23.6 13.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.86 78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.36 97.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.63 9.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 p -127.88 159.05 36.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -105.67 161.33 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -171.72 98.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -121.51 160.55 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.97 81.1 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -58.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.16 130.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.86 167.49 18.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -176.83 3.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.53 114.76 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -146.63 145.57 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 65.61 155.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.66 -53.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.6 p -144.34 107.04 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 173.84 121.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 177.38 137.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.38 -57.03 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD2' ' CD1' ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.61 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.617 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.535 HG23 ' CE1' ' A' ' 87' ' ' TYR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 85' ' ' THR . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 55' ' ' TRP . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.561 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLY . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.451 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 3.0 tt0 -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB2' ' CG ' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.511 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.74 19.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.6 117.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.28 -152.97 43.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.18 41.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.0 m -107.65 155.81 19.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.99 94.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -120.19 161.39 21.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -45.16 -61.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.1 -136.13 8.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.99 105.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -60.77 125.95 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.41 89.09 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.35 11.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -120.07 -65.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp 68.57 117.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -173.99 130.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 115.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -159.05 56.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.17 126.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.631 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 152.05 39.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.95 -22.23 11.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' GLY . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 91' ' ' VAL . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 30' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 110' ' ' GLY . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.473 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 36' ' ' VAL . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' CD1' ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.422 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 ' CE3' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 85' ' ' THR . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.489 HD11 ' CB ' ' A' ' 55' ' ' TRP . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.534 HG21 ' CB ' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.535 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.47 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.8 66.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 p -164.71 119.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 m -74.71 170.9 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -172.83 142.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -124.44 124.73 42.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 -167.81 19.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -162.0 131.33 4.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -72.16 106.49 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.27 -150.3 8.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.61 7.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.429 1.752 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.41 -72.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.02 162.57 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.85 130.4 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -82.43 104.62 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -127.33 122.24 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -64.99 130.12 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -171.18 142.96 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -54.01 -64.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 103' ' ' SER . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 107' ' ' ILE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' CG2' ' A' ' 32' ' ' THR . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 36' ' ' VAL . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.586 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.529 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.6 m-70 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.586 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ASP . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 87' ' ' TYR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 85' ' ' THR . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.525 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.502 HG13 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' THR . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 4.9 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.528 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.45 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.513 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -42.43 123.07 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.49 161.87 33.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 75.65 3.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.8 p -106.93 110.28 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.6 p -124.37 -57.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -178.21 161.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -175.0 159.7 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.4 144.44 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.84 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -167.77 165.26 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.25 150.08 5.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.46 24.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -146.26 98.89 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.65 88.56 2.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.4 111.45 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -173.5 147.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -60.42 105.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 54.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 61.75 145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.07 -56.14 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' GLY . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 30' ' ' LEU . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 110' ' ' GLY . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.46 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.4 ' N ' HG12 ' A' ' 36' ' ' VAL . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.615 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.518 ' CB ' HD12 ' A' ' 89' ' ' ILE . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.472 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.1 m-70 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.448 HG21 ' CE3' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 87' ' ' TYR . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.518 HD12 ' CB ' ' A' ' 55' ' ' TRP . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.53 HG11 ' CG ' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 4.2 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.538 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.441 ' CB ' HD22 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.562 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.533 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.533 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.19 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 115.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.73 175.83 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p -84.4 166.17 17.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.9 80.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -77.85 126.1 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -162.32 93.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.16 -134.6 48.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 p -166.18 134.99 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 179.49 153.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.4 158.33 12.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -47.35 155.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.32 90.44 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t 63.86 97.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.79 116.65 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -133.08 153.49 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.27 165.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -83.75 -45.93 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' NZ ' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.405 ' OG ' ' NZ ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.6 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CG ' HG11 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.409 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.531 HG11 ' CG ' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 87' ' ' TYR . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.493 HD13 ' CB ' ' A' ' 55' ' ' TRP . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG11 ' CG ' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.535 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 ' CG2' HD11 ' A' ' 48' ' ' LEU . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.12 18.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.43 87.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.88 -91.18 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 p -116.08 -43.66 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m -144.8 146.73 32.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 56.32 100.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -141.97 80.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.28 134.76 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -161.99 101.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -81.08 170.46 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.61 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -169.36 144.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -118.84 72.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 155.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -168.84 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -122.82 175.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -119.99 138.68 53.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.37 -56.16 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 107' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CD1' ' HE3' ' A' ' 94' ' ' MET . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.407 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.48 HG23 ' CD ' ' A' ' 77' ' ' ARG . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.658 ' CD2' ' CD1' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' OG1' ' OH ' ' A' ' 87' ' ' TYR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CD1' ' CD2' ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 55' ' ' TRP . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE3' ' CD1' ' A' ' 68' ' ' TYR . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.471 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 2.7 tt0 -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.52 HG21 ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.507 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.11 107.35 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.14 18.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.52 128.54 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -160.28 161.1 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.45 80.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -169.06 150.92 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 79.82 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.86 129.08 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -69.56 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 114.13 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.83 157.5 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 107.88 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -173.83 144.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' O ' ' CG2' ' A' ' 13' ' ' THR . 6.9 ttt-85 -143.51 -58.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 12' ' ' ARG . 14.1 t 49.66 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 7.0 t-80 -91.25 165.76 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.1 mt-10 176.7 160.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -112.46 -49.56 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 36' ' ' VAL . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 110' ' ' GLY . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' OG ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.622 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.622 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.427 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 6.3 m-70 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.7 p30 -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.481 HG21 ' CE2' ' A' ' 87' ' ' TYR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG23 ' CE3' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' THR . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' CG ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 53.46 3.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.64 131.99 35.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.25 155.02 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.04 3.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.1 p -78.99 -11.98 60.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -85.75 -59.03 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -92.14 159.16 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 t -116.05 154.02 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 -66.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -41.4 160.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -131.23 79.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -123.51 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.56 7.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.2 168.1 20.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.55 138.13 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.2 t 63.76 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -141.3 140.64 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -144.91 -177.53 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -96.8 132.34 42.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.24 147.57 46.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -76.52 -61.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 103' ' ' SER . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' HG11 ' A' ' 78' ' ' VAL . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.615 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.506 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.581 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.581 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.431 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 1.6 m-70 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.541 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.541 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 55' ' ' TRP . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 38' ' ' TRP . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.506 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 9.3 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.523 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.445 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB1' ' CG ' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.594 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.507 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.509 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -15.54 20.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.39 99.78 8.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.4 96.35 2.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.82 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 161.95 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.97 -59.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -107.38 -58.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -56.2 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 -102.08 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.42 154.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -61.17 135.43 57.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.7 93.42 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.97 4.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.07 95.13 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.48 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -171.53 120.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.91 140.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -57.59 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.78 179.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.18 155.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 -124.45 -57.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' PRO . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG2' HG23 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.665 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.58 ' CD1' ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.612 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 2.6 m-70 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG11 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.426 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.552 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 85' ' ' THR . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE1' HG21 ' A' ' 85' ' ' THR . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.492 HG23 ' CG2' ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' CG ' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 6.4 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.451 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.52 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -12.71 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 92.88 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.15 178.46 19.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 m 44.36 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -130.46 -59.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -140.38 125.5 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.04 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -81.22 168.56 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.5 106.78 2.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.91 101.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -110.06 147.67 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.18 170.02 30.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.81 38.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -162.56 168.03 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.3 155.25 24.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.93 143.86 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 48.99 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -136.64 168.82 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.58 160.37 34.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -174.72 125.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 -73.69 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' GLY . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' CG1' ' A' ' 78' ' ' VAL . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.616 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 64.4 m-80 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' MET . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 93' ' ' ALA . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.612 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.447 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.7 m-70 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.587 ' CD1' ' HE1' ' A' ' 94' ' ' MET . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 87' ' ' TYR . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD2' HD23 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.548 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.587 ' HE1' ' CD1' ' A' ' 68' ' ' TYR . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.461 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.431 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 3.7 tt0 -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.548 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.468 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.521 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.521 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 53.88 3.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.79 -74.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.93 160.45 13.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 178.02 7.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.4 p -161.98 144.71 11.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.5 m -111.27 109.32 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -110.6 170.65 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.19 129.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 128.24 0.98 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.46 135.81 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -174.26 -59.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.23 140.33 6.35 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.01 -60.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.55 -179.73 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -104.49 164.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -75.83 176.59 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -128.22 -167.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -57.44 179.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.0 99.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 -46.25 -43.93 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.58 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CZ2' HG13 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 55' ' ' TRP . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 87' ' ' TYR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' A' ' 85' ' ' THR . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.575 HG23 ' CE3' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' HG21 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 49' ' ' THR . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.6 tt0 -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.498 HG21 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.499 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -75.01 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 113' ' ' PRO . 0.9 OUTLIER 82.57 89.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.99 -146.53 18.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.97 42.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.5 p -134.06 131.36 38.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.9 t -166.05 93.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -68.98 91.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.28 -61.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.57 -108.74 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.03 162.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.85 162.19 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.34 166.12 36.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 157.46 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -108.99 -15.83 14.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.71 -178.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.07 156.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' O ' ' CG2' ' A' ' 13' ' ' THR . 0.0 OUTLIER -87.78 -70.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 t 53.62 166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -46.91 135.93 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -132.68 137.56 46.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -86.81 -64.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 107' ' ' ILE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG1' HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' HD11 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.598 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.598 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG12 ' CG ' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE2' HD23 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 55' ' ' TRP . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 38' ' ' TRP . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.517 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.487 ' CG2' HD11 ' A' ' 48' ' ' LEU . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 1.6 tt0 -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.517 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' CG ' ' A' ' 90' ' ' GLU . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.3 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER 36.59 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.5 -152.25 52.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 179.8 5.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.783 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -148.65 150.12 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -140.03 159.16 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -146.32 143.11 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.784 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -119.46 117.34 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -87.3 1.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.44 137.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -159.89 162.87 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 73.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 124.21 8.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -164.34 97.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -152.97 -175.25 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.6 159.75 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.97 128.84 51.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p -109.28 -167.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.72 128.73 11.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -137.38 152.21 49.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -50.75 -60.33 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CD2' ' CG1' ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ2' HG13 ' A' ' 65' ' ' VAL . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.576 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 6.6 m-70 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 73' ' ' THR . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 72' ' ' VAL . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.551 HD13 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.48 ' CG2' HD22 ' A' ' 48' ' ' LEU . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.561 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.449 ' CB ' HD21 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.489 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 53.83 3.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -83.67 105.76 14.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.61 169.72 45.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.49 4.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 t 61.06 159.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t 49.11 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -161.65 148.35 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -155.2 133.58 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -163.51 38.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.67 132.26 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -108.73 148.7 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.88 -176.76 32.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.75 5.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 129.45 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.52 141.01 52.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.3 158.54 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 152.28 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 14' ' ' HIS . 9.8 t -166.12 -173.45 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 13' ' ' THR . 1.5 m80 -112.85 130.59 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -129.78 162.02 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -102.98 -56.83 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD1' ' OG ' ' A' ' 105' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' GLY . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CE2' HD22 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' NE ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.606 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.606 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.426 HG22 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CD1' ' HE1' ' A' ' 94' ' ' MET . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.4 p30 -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.549 HG23 ' CE3' ' A' ' 55' ' ' TRP . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.462 ' CG2' ' HD3' ' A' ' 77' ' ' ARG . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.444 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.509 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' GLN . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.479 ' HB ' ' CE ' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.479 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.515 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.515 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.509 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 90' ' ' GLU . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.499 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.67 3.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -90.94 95.32 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.97 105.64 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 148.68 7.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -69.59 147.64 50.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 56.42 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.39 88.91 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -170.92 25.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -100.04 150.81 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -175.19 150.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 84.36 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -72.31 174.48 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.21 170.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t 64.24 126.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 62.54 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -179.07 136.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 105.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -132.67 138.36 47.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -47.17 -57.69 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 36' ' ' VAL . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.432 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.2 m-70 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.634 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.532 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.425 HG21 ' CE1' ' A' ' 87' ' ' TYR . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.594 ' CD1' ' CB ' ' A' ' 55' ' ' TRP . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.569 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' THR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 2.0 tt0 -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.429 ' CB ' HD22 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.47 24.76 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.67 -62.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.54 156.14 22.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 117' ' ' SER . 18.3 Cg_endo -74.99 166.32 29.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 116' ' ' PRO . 32.0 m 45.74 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.3 p -121.95 83.28 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -113.36 159.86 18.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -63.38 -58.17 7.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.46 -168.69 12.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 162.25 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.1 149.87 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.18 148.83 19.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -147.08 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 11' ' ' VAL . 1.8 pp -141.46 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.3 p -174.58 153.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 73.06 118.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -174.6 166.47 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -171.88 119.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.38 154.31 51.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 -71.1 -56.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 107' ' ' ILE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CD2' ' O ' ' A' ' 74' ' ' LEU . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' C ' HD11 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD21 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.616 ' CE2' ' CG1' ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.616 ' CG1' ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 76' ' ' TYR . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.587 ' CG1' ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.529 ' CE2' HD23 ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 55' ' ' TRP . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CG ' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.541 HG22 ' CE3' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.492 ' CG2' HD11 ' A' ' 48' ' ' LEU . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.507 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.58 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.517 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.32 17.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.94 89.4 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.6 -172.67 24.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.36 33.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -152.93 172.58 16.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.2 m 58.71 156.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' ' 29' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.94 HG21 HG21 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' OH ' ' A' ' 51' ' ' TYR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' OH ' HD13 ' A' ' 48' ' ' LEU . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.903 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.451 HG23 ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.628 HD21 ' CG1' ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' SER . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.531 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.94 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.844 HG11 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.066 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.066 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.658 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.762 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 34' ' ' LEU . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.839 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.842 HG21 HG21 ' A' ' 89' ' ' ILE . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 HG22 ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.98 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.98 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 70' ' ' PRO . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 ' CD2' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 110' ' ' GLY . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.535 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.842 HG21 HG21 ' A' ' 36' ' ' VAL . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 38' ' ' TRP . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.002 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.762 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.764 ' O ' HG11 ' A' ' 17' ' ' VAL . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.002 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.773 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.713 ' O ' HG21 ' A' ' 29' ' ' ILE . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.508 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.964 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.893 HG21 HG21 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.781 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 47' ' ' ILE . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 HG22 ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.651 HG23 ' ND1' ' A' ' 67' ' ' HIS . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.918 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.637 HG21 ' NE1' ' A' ' 55' ' ' TRP . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.69 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 70' ' ' PRO . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.918 HG13 ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.893 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.964 ' HB ' HD11 ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.094 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.614 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.664 HG22 HD23 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.594 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.6 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.919 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.574 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG21 HG12 ' A' ' 91' ' ' VAL . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.777 ' HB3' HD11 ' A' ' 29' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.777 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.859 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.839 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 48' ' ' LEU . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' N ' ' HE2' ' A' ' 94' ' ' MET . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 91' ' ' VAL . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.922 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.922 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 70' ' ' PRO . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.853 HG13 ' CD2' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.589 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.859 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.839 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.067 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.593 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.708 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG11 ' A' ' 17' ' ' VAL . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.067 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.638 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' CG1' ' A' ' 91' ' ' VAL . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' HG22 ' A' ' 36' ' ' VAL . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.982 HD13 HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD22 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.866 HG21 HG21 ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.729 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.034 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.034 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 52' ' ' ARG . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.475 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.639 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.866 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.925 ' HB ' HD11 ' A' ' 24' ' ' LEU . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.554 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CD ' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.871 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' OG ' ' A' ' 33' ' ' SER . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.664 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.888 HG21 HG21 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.835 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.812 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD11 ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE2' HD23 ' A' ' 74' ' ' LEU . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.974 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.768 HG13 ' CD2' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 HG23 ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 108' ' ' SER . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.888 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.97 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.827 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.827 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.778 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.514 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.638 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.8 p-80 -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.885 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.891 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 74' ' ' LEU . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.882 ' CD2' HG13 ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG21 ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 53' ' ' ILE . 23.6 m170 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.882 HG13 ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' C ' ' A' ' 78' ' ' VAL . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.929 HG21 HG21 ' A' ' 36' ' ' VAL . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.068 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.5 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.068 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.881 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.521 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.749 ' HB3' HD11 ' A' ' 29' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.646 HD12 ' OG ' ' A' ' 33' ' ' SER . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 31' ' ' ASP . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.85 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.869 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 95' ' ' THR . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.739 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' MET . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 91' ' ' VAL . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.856 ' NE1' HG21 ' A' ' 65' ' ' VAL . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.856 HG21 ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 65' ' ' VAL . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 53' ' ' ILE . 14.5 m170 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 70' ' ' PRO . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.824 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.85 HG21 HG21 ' A' ' 36' ' ' VAL . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.683 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.065 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.065 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.801 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.865 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.858 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.857 ' CD2' HG13 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 63' ' ' THR . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 62' ' ' ASN . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.817 HG21 ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 65' ' ' VAL . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 2.7 m170 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.454 HG23 ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 106' ' ' THR . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.865 HG21 HG21 ' A' ' 36' ' ' VAL . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.872 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.858 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.053 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 18' ' ' PRO . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' HG11 ' A' ' 17' ' ' VAL . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.053 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.781 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.574 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.575 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.549 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.816 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.838 HG23 ' HB3' ' A' ' 34' ' ' LEU . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.838 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 47' ' ' ILE . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE2' HD23 ' A' ' 74' ' ' LEU . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.022 ' CE2' HG11 ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.022 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 66' ' ' THR . 66.1 m170 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 70' ' ' PRO . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 33' ' ' SER . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CG ' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.471 ' CA ' HG22 ' A' ' 32' ' ' THR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.755 ' CG ' HD22 ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.09 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.816 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.549 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.764 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.807 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' OG ' ' A' ' 33' ' ' SER . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.69 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG21 HG21 ' A' ' 89' ' ' ILE . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.83 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 95' ' ' THR . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.088 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.521 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 70' ' ' PRO . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.912 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 78' ' ' VAL . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.563 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.828 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.912 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.086 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.552 ' O ' HG11 ' A' ' 17' ' ' VAL . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.086 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.672 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.744 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.899 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.887 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.887 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.974 HG21 HG21 ' A' ' 89' ' ' ILE . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 74' ' ' LEU . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 67' ' ' HIS . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.024 ' CE2' HG11 ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.024 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.9 m170 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 70' ' ' PRO . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG22 HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.888 HD11 HG22 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.603 HG22 ' CD1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 106' ' ' THR . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD1' HG22 ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.974 HG21 HG21 ' A' ' 36' ' ' VAL . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.899 ' HB ' HD11 ' A' ' 24' ' ' LEU . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.073 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.744 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' O ' HG11 ' A' ' 17' ' ' VAL . 5.8 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.073 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.888 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.4 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.593 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.548 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.587 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG21 HG12 ' A' ' 91' ' ' VAL . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.767 ' HB3' HD11 ' A' ' 29' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.767 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.896 HG21 HG21 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.817 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 1.078 ' OE2' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 47' ' ' ILE . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.078 HD11 ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.994 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.994 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 70' ' ' PRO . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.668 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.839 HG13 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.564 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.896 HG21 HG21 ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG11 ' CD2' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.091 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.737 HG23 ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.508 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 3.0 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.091 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.748 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.798 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.587 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.915 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.538 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.915 ' HB3' HG23 ' A' ' 29' ' ' ILE . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 89' ' ' ILE . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.849 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.8 m120 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 47' ' ' ILE . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' HB1' ' A' ' 93' ' ' ALA . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 95' ' ' THR . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 74' ' ' LEU . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.056 ' CE2' HG11 ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.056 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.416 ' OD1' HG13 ' A' ' 72' ' ' VAL . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 70' ' ' PRO . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.725 HG21 HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD11 HG21 ' A' ' 78' ' ' VAL . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 108' ' ' SER . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.607 ' CD2' HD22 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.778 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.817 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.752 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.513 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.946 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 74' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.846 ' CZ2' HG11 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.926 ' CG1' HD21 ' A' ' 81' ' ' LEU . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.926 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.54 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.785 HD12 ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.823 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.946 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.044 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.768 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.044 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.823 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.571 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.943 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.877 HG21 HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.907 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.646 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD23 ' A' ' 74' ' ' LEU . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.5 HG13 HG22 ' A' ' 91' ' ' VAL . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.934 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.934 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 70' ' ' PRO . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.876 HG13 ' CD2' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.491 HG23 ' C ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CD2' HD22 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.578 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.877 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.943 ' HB ' HD11 ' A' ' 24' ' ' LEU . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.063 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.063 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 1.015 ' CD2' HG11 ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' HG21 ' A' ' 95' ' ' THR . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 47' ' ' ILE . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.825 ' CB ' HD12 ' A' ' 89' ' ' ILE . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG21 ' NE1' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 65' ' ' VAL . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 70' ' ' PRO . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' HD21 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.83 ' CG1' HD21 ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' C ' ' A' ' 78' ' ' VAL . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.83 HD21 ' CG1' ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.434 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.802 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.094 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.86 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.694 ' HB3' HD23 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.802 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.542 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG21 HG12 ' A' ' 91' ' ' VAL . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.1 p-80 -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.6 ' C ' HD12 ' A' ' 81' ' ' LEU . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.876 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 95' ' ' THR . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.627 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.563 ' NE ' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.955 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.955 HG11 ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.444 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.825 ' CG1' HD21 ' A' ' 81' ' ' LEU . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 78' ' ' VAL . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.825 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.445 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.876 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.052 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.052 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.735 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.674 ' OG ' HD12 ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.693 HG21 HG12 ' A' ' 91' ' ' VAL . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 1.9 p-80 -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 110' ' ' GLY . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.691 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG21 HG21 ' A' ' 89' ' ' ILE . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 95' ' ' THR . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 67' ' ' HIS . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.89 ' CE2' HG11 ' A' ' 65' ' ' VAL . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB3' HG23 ' A' ' 63' ' ' THR . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 60' ' ' ARG . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.424 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 m170 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.452 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.492 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 78' ' ' VAL . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 106' ' ' THR . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 36' ' ' VAL . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.903 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.041 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.541 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.733 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 91' ' ' VAL . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 29' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.831 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.569 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' HD23 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 67' ' ' HIS . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 1.049 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.049 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 70' ' ' PRO . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.884 HG13 ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.829 HG21 HG21 ' A' ' 36' ' ' VAL . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.831 HG11 ' CD2' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 1.092 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.092 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.76 ' HB3' HD23 ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.24 87.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.8 169.32 9.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.89 -149.14 15.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 p -178.97 107.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 60.4 162.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.86 32.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -116.15 71.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.11 149.14 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -43.54 127.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -114.28 -60.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p 46.08 -168.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -76.76 117.62 18.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.31 138.84 16.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 -89.54 -63.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' ' 29' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.94 HG21 HG21 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' OH ' ' A' ' 51' ' ' TYR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' OH ' HD13 ' A' ' 48' ' ' LEU . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.903 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.451 HG23 ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.628 HD21 ' CG1' ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' SER . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.531 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.94 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.844 HG11 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.066 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.066 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.658 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.5 Cg_endo -74.99 -24.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.77 77.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.93 163.86 34.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.9 t 71.21 -63.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 p -171.56 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.55 149.35 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -139.85 168.0 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 174.76 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p 57.99 164.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -59.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 10' ' ' LEU . . . 95.29 97.58 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.107 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.5 42.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' O ' HD22 ' A' ' 10' ' ' LEU . 23.6 mt-30 52.85 94.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 7' ' ' GLY . 1.8 mm? -126.38 174.64 8.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -160.97 160.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.55 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.99 166.37 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.49 85.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.96 125.95 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -69.44 -34.39 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.762 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 34' ' ' LEU . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.839 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.842 HG21 HG21 ' A' ' 89' ' ' ILE . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 HG22 ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.98 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.98 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 70' ' ' PRO . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 ' CD2' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 110' ' ' GLY . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.535 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.842 HG21 HG21 ' A' ' 36' ' ' VAL . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 38' ' ' TRP . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.002 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.762 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.764 ' O ' HG11 ' A' ' 17' ' ' VAL . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.002 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.773 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.713 ' O ' HG21 ' A' ' 29' ' ' ILE . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.508 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.4 Cg_endo -74.97 -18.7 18.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.67 86.7 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.8 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.59 14.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.5 p -142.33 137.49 30.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m 63.52 138.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.76 131.8 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.97 152.25 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 155.34 26.09 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -152.42 110.26 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -138.83 164.8 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.22 92.35 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 135.14 53.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 135.1 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 13' ' ' THR . 11.9 p -159.94 140.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -117.74 107.31 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 11' ' ' VAL . 40.5 p -132.51 142.39 49.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -81.21 177.44 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.617 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.7 mt-10 -173.5 149.27 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.49 -56.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.964 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.893 HG21 HG21 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.781 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 47' ' ' ILE . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 HG22 ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.651 HG23 ' ND1' ' A' ' 67' ' ' HIS . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.918 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.637 HG21 ' NE1' ' A' ' 55' ' ' TRP . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.69 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 70' ' ' PRO . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.918 HG13 ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.893 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.964 ' HB ' HD11 ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.094 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.614 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.664 HG22 HD23 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.594 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.6 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.919 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.574 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.2 Cg_endo -74.94 -23.73 13.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER 39.39 74.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.02 91.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 m -116.86 -49.45 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.2 m -60.48 -59.08 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -102.88 -58.25 1.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -45.29 -59.2 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 125.99 37.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -178.3 159.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.91 154.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.97 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.82 39.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 179.33 171.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.4 115.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.8 156.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -108.76 121.16 44.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -137.78 115.8 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 94.9 m-70 -83.31 153.77 24.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 176.85 132.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.27 -64.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG21 HG12 ' A' ' 91' ' ' VAL . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.777 ' HB3' HD11 ' A' ' 29' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.777 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.859 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.839 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 48' ' ' LEU . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' N ' ' HE2' ' A' ' 94' ' ' MET . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 91' ' ' VAL . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.922 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.922 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 70' ' ' PRO . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.853 HG13 ' CD2' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.589 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.859 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.839 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.067 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.593 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.708 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG11 ' A' ' 17' ' ' VAL . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.067 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.638 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -74.96 -23.6 13.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.86 78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.36 97.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.63 9.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 p -127.88 159.05 36.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -105.67 161.33 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -171.72 98.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -121.51 160.55 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.97 81.1 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -58.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.16 130.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.86 167.49 18.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -176.83 3.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.53 114.76 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.2 mp -146.63 145.57 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER 65.61 155.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.66 -53.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.6 p -144.34 107.04 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 173.84 121.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 177.38 137.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.38 -57.03 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' CG1' ' A' ' 91' ' ' VAL . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' HG22 ' A' ' 36' ' ' VAL . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.982 HD13 HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD22 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.866 HG21 HG21 ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.729 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.034 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.034 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 52' ' ' ARG . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.475 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.639 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.866 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.925 ' HB ' HD11 ' A' ' 24' ' ' LEU . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.554 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CD ' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.871 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.74 19.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.6 117.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.28 -152.97 43.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.18 41.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.0 m -107.65 155.81 19.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.99 94.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -120.19 161.39 21.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -45.16 -61.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.1 -136.13 8.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.99 105.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -60.77 125.95 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.41 89.09 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.35 11.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -120.07 -65.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp 68.57 117.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -173.99 130.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 115.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 13' ' ' THR . 14.7 t -159.05 56.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.17 126.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.631 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 152.05 39.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.95 -22.23 11.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' OG ' ' A' ' 33' ' ' SER . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.664 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.888 HG21 HG21 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.835 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.812 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD11 ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE2' HD23 ' A' ' 74' ' ' LEU . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.974 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.768 HG13 ' CD2' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 HG23 ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 108' ' ' SER . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.888 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.97 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.827 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.827 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.778 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.514 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.638 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.47 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.8 66.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 p -164.71 119.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 m -74.71 170.9 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -172.83 142.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -124.44 124.73 42.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 -167.81 19.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -162.0 131.33 4.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -72.16 106.49 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.27 -150.3 8.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.61 7.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.429 1.752 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB3' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -128.41 -72.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 9' ' ' GLN . 1.0 OUTLIER -161.02 162.57 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.85 130.4 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -82.43 104.62 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -127.33 122.24 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -64.99 130.12 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -171.18 142.96 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -54.01 -64.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.8 p-80 -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.885 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.891 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 74' ' ' LEU . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.882 ' CD2' HG13 ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG21 ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 53' ' ' ILE . 23.6 m170 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.882 HG13 ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' C ' ' A' ' 78' ' ' VAL . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.929 HG21 HG21 ' A' ' 36' ' ' VAL . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.068 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.5 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.068 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.881 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.521 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -42.43 123.07 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.49 161.87 33.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 75.65 3.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.8 p -106.93 110.28 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.6 p -124.37 -57.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -178.21 161.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -175.0 159.7 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.4 144.44 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.84 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -167.77 165.26 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.25 150.08 5.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.46 24.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -146.26 98.89 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.65 88.56 2.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.6 p -75.4 111.45 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -173.5 147.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -60.42 105.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 54.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 61.75 145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.07 -56.14 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.749 ' HB3' HD11 ' A' ' 29' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD12 ' OG ' ' A' ' 33' ' ' SER . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 31' ' ' ASP . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.85 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.869 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 95' ' ' THR . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.739 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' MET . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 91' ' ' VAL . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.856 ' NE1' HG21 ' A' ' 65' ' ' VAL . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.856 HG21 ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 65' ' ' VAL . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 53' ' ' ILE . 14.5 m170 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 70' ' ' PRO . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.824 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.85 HG21 HG21 ' A' ' 36' ' ' VAL . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.683 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.065 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.065 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.801 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.19 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 115.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.73 175.83 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p -84.4 166.17 17.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.9 80.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -77.85 126.1 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -162.32 93.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.16 -134.6 48.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 p -166.18 134.99 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 179.49 153.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.4 158.33 12.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -47.35 155.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.32 90.44 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t 63.86 97.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.79 116.65 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -133.08 153.49 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.27 165.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -83.75 -45.93 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.865 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.858 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.857 ' CD2' HG13 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 63' ' ' THR . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 62' ' ' ASN . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.817 HG21 ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 65' ' ' VAL . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 2.7 m170 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.454 HG23 ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 106' ' ' THR . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.865 HG21 HG21 ' A' ' 36' ' ' VAL . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.872 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.858 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.053 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 18' ' ' PRO . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' HG11 ' A' ' 17' ' ' VAL . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.053 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.781 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.574 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.575 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.12 18.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.43 87.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.88 -91.18 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 p -116.08 -43.66 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m -144.8 146.73 32.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 56.32 100.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -141.97 80.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.28 134.76 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -161.99 101.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -81.08 170.46 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.61 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.36 144.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -118.84 72.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 155.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -168.84 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -122.82 175.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -119.99 138.68 53.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.37 -56.16 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.549 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.816 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.838 HG23 ' HB3' ' A' ' 34' ' ' LEU . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.838 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 47' ' ' ILE . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE2' HD23 ' A' ' 74' ' ' LEU . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.022 ' CE2' HG11 ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.022 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 66' ' ' THR . 66.1 m170 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 70' ' ' PRO . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 33' ' ' SER . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CG ' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CA ' HG22 ' A' ' 32' ' ' THR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.755 ' CG ' HD22 ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.09 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.816 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.549 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.764 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.11 107.35 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.14 18.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.52 128.54 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -160.28 161.1 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.45 80.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -169.06 150.92 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 79.82 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.86 129.08 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -69.56 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 114.13 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.83 157.5 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 107.88 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -173.83 144.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 13' ' ' THR . 6.9 ttt-85 -143.51 -58.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 12' ' ' ARG . 14.1 t 49.66 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 7.0 t-80 -91.25 165.76 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.1 mt-10 176.7 160.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -112.46 -49.56 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.807 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' OG ' ' A' ' 33' ' ' SER . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.69 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG21 HG21 ' A' ' 89' ' ' ILE . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.83 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 95' ' ' THR . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.088 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.521 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 70' ' ' PRO . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.912 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 78' ' ' VAL . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.563 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.828 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.912 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.086 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.552 ' O ' HG11 ' A' ' 17' ' ' VAL . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.086 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.672 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 53.46 3.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.64 131.99 35.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.25 155.02 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.04 3.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.1 p -78.99 -11.98 60.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -85.75 -59.03 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -92.14 159.16 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 t -116.05 154.02 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 -66.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -41.4 160.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -131.23 79.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -123.51 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.56 7.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.2 168.1 20.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.55 138.13 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.2 t 63.76 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -141.3 140.64 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -144.91 -177.53 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -96.8 132.34 42.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.24 147.57 46.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -76.52 -61.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.744 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.899 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.887 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.887 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.974 HG21 HG21 ' A' ' 89' ' ' ILE . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 74' ' ' LEU . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 67' ' ' HIS . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.024 ' CE2' HG11 ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.024 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.9 m170 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 70' ' ' PRO . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG22 HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.888 HD11 HG22 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.603 HG22 ' CD1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 106' ' ' THR . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD1' HG22 ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.974 HG21 HG21 ' A' ' 36' ' ' VAL . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.899 ' HB ' HD11 ' A' ' 24' ' ' LEU . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.073 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.744 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' O ' HG11 ' A' ' 17' ' ' VAL . 5.8 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.073 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.888 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.4 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.593 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.548 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.587 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -15.54 20.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.39 99.78 8.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.4 96.35 2.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.82 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 161.95 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.97 -59.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -107.38 -58.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -56.2 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 -102.08 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.42 154.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -61.17 135.43 57.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.7 93.42 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.97 4.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.07 95.13 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.48 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -171.53 120.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.91 140.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -57.59 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.78 179.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.18 155.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 -124.45 -57.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG21 HG12 ' A' ' 91' ' ' VAL . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.767 ' HB3' HD11 ' A' ' 29' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.767 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.896 HG21 HG21 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.817 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 1.078 ' OE2' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 47' ' ' ILE . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.078 HD11 ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.994 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.994 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 70' ' ' PRO . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.668 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.839 HG13 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.564 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.896 HG21 HG21 ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG11 ' CD2' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.091 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.737 HG23 ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.508 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 3.0 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.091 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.748 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.798 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.587 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -12.71 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 92.88 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.15 178.46 19.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 m 44.36 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -130.46 -59.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -140.38 125.5 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.04 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -81.22 168.56 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.5 106.78 2.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.91 101.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -110.06 147.67 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.18 170.02 30.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.81 38.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -162.56 168.03 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.3 155.25 24.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.93 143.86 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 48.99 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -136.64 168.82 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.58 160.37 34.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -174.72 125.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 -73.69 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.915 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.538 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.915 ' HB3' HG23 ' A' ' 29' ' ' ILE . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 89' ' ' ILE . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.849 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.8 m120 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 47' ' ' ILE . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' HB1' ' A' ' 93' ' ' ALA . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 95' ' ' THR . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 74' ' ' LEU . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.056 ' CE2' HG11 ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.056 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' OD1' HG13 ' A' ' 72' ' ' VAL . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 70' ' ' PRO . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.725 HG21 HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD11 HG21 ' A' ' 78' ' ' VAL . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 108' ' ' SER . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.607 ' CD2' HD22 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.778 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.817 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.752 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 53.88 3.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.79 -74.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.93 160.45 13.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 178.02 7.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.4 p -161.98 144.71 11.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.5 m -111.27 109.32 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -110.6 170.65 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.19 129.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 128.24 0.98 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.46 135.81 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -174.26 -59.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.23 140.33 6.35 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.01 -60.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.55 -179.73 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -104.49 164.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -75.83 176.59 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -128.22 -167.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -57.44 179.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.0 99.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 -46.25 -43.93 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.513 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.946 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 74' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.846 ' CZ2' HG11 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.926 ' CG1' HD21 ' A' ' 81' ' ' LEU . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.926 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.54 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.785 HD12 ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.823 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.946 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.044 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.768 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.044 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.823 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.571 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -75.01 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 113' ' ' PRO . 0.9 OUTLIER 82.57 89.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.99 -146.53 18.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.97 42.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.5 p -134.06 131.36 38.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.9 t -166.05 93.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -68.98 91.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.28 -61.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.57 -108.74 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.03 162.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.85 162.19 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.34 166.12 36.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 157.46 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -108.99 -15.83 14.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.71 -178.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.07 156.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER -87.78 -70.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 12' ' ' ARG . 11.1 t 53.62 166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -46.91 135.93 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -132.68 137.56 46.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -86.81 -64.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.943 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.877 HG21 HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.907 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.646 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD23 ' A' ' 74' ' ' LEU . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.5 HG13 HG22 ' A' ' 91' ' ' VAL . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.934 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.934 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 70' ' ' PRO . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.876 HG13 ' CD2' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.491 HG23 ' C ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CD2' HD22 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.578 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.877 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.943 ' HB ' HD11 ' A' ' 24' ' ' LEU . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.063 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.063 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.3 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER 36.59 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.5 -152.25 52.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 179.8 5.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.783 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -148.65 150.12 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -140.03 159.16 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -146.32 143.11 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.784 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -119.46 117.34 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -87.3 1.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.44 137.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -159.89 162.87 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 73.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 124.21 8.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -164.34 97.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -152.97 -175.25 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.6 159.75 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.97 128.84 51.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p -109.28 -167.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.72 128.73 11.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -137.38 152.21 49.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -50.75 -60.33 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 1.015 ' CD2' HG11 ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' HG21 ' A' ' 95' ' ' THR . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 47' ' ' ILE . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.825 ' CB ' HD12 ' A' ' 89' ' ' ILE . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG21 ' NE1' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 65' ' ' VAL . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 70' ' ' PRO . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' HD21 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.83 ' CG1' HD21 ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' C ' ' A' ' 78' ' ' VAL . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.83 HD21 ' CG1' ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.434 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.802 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.094 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.86 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.694 ' HB3' HD23 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.802 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.542 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.5 Cg_endo -74.93 53.83 3.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -83.67 105.76 14.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.61 169.72 45.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.49 4.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 t 61.06 159.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t 49.11 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -161.65 148.35 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -155.2 133.58 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -163.51 38.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.67 132.26 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -108.73 148.7 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.88 -176.76 32.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.75 5.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 129.45 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.52 141.01 52.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.3 158.54 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 152.28 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 14' ' ' HIS . 9.8 t -166.12 -173.45 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 13' ' ' THR . 1.5 m80 -112.85 130.59 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -129.78 162.02 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -102.98 -56.83 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG21 HG12 ' A' ' 91' ' ' VAL . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.1 p-80 -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.6 ' C ' HD12 ' A' ' 81' ' ' LEU . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.876 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 95' ' ' THR . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.627 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.563 ' NE ' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.955 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.955 HG11 ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.444 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.825 ' CG1' HD21 ' A' ' 81' ' ' LEU . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 78' ' ' VAL . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.825 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.445 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.876 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.052 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.052 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.735 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.674 ' OG ' HD12 ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.67 3.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -90.94 95.32 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.97 105.64 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 148.68 7.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -69.59 147.64 50.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 56.42 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.39 88.91 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -170.92 25.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -100.04 150.81 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -175.19 150.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 84.36 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -72.31 174.48 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.21 170.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t 64.24 126.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . 48.5 mtp180 62.54 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.247 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 12' ' ' ARG . 1.4 t -179.07 136.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 105.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -132.67 138.36 47.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -47.17 -57.69 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.693 HG21 HG12 ' A' ' 91' ' ' VAL . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 1.9 p-80 -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 110' ' ' GLY . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.691 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG21 HG21 ' A' ' 89' ' ' ILE . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 95' ' ' THR . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 67' ' ' HIS . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.89 ' CE2' HG11 ' A' ' 65' ' ' VAL . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB3' HG23 ' A' ' 63' ' ' THR . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 60' ' ' ARG . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' HB2' HG23 ' A' ' 53' ' ' ILE . 18.3 m170 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.452 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.492 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 78' ' ' VAL . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 106' ' ' THR . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 36' ' ' VAL . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.903 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.041 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.541 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 99' ' ' GLN . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.733 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo -75.02 168.47 24.76 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.67 -62.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.54 156.14 22.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 117' ' ' SER . 18.3 Cg_endo -74.99 166.32 29.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 116' ' ' PRO . 32.0 m 45.74 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.3 p -121.95 83.28 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -113.36 159.86 18.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -63.38 -58.17 7.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.46 -168.69 12.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 162.25 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.1 149.87 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.18 148.83 19.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -147.08 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 11' ' ' VAL . 1.8 pp -141.46 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.3 p -174.58 153.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 73.06 118.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -174.6 166.47 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -171.88 119.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.38 154.31 51.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 -71.1 -56.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 91' ' ' VAL . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 29' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.831 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.569 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' HD23 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 67' ' ' HIS . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 1.049 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.049 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 70' ' ' PRO . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.884 HG13 ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.829 HG21 HG21 ' A' ' 36' ' ' VAL . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.831 HG11 ' CD2' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 1.092 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.092 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.76 ' HB3' HD23 ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.32 17.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.94 89.4 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.6 -172.67 24.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.36 33.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -152.93 172.58 16.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.2 m 58.71 156.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' ' 29' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.94 HG21 HG21 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' OH ' ' A' ' 51' ' ' TYR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' OH ' HD13 ' A' ' 48' ' ' LEU . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.903 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.451 HG23 ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.628 HD21 ' CG1' ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' SER . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.531 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.94 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.844 HG11 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.066 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.066 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.658 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.762 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 34' ' ' LEU . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.839 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.842 HG21 HG21 ' A' ' 89' ' ' ILE . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 HG22 ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.98 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.98 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 70' ' ' PRO . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 ' CD2' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 110' ' ' GLY . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.535 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.842 HG21 HG21 ' A' ' 36' ' ' VAL . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 38' ' ' TRP . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.002 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.762 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.764 ' O ' HG11 ' A' ' 17' ' ' VAL . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.002 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.773 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.713 ' O ' HG21 ' A' ' 29' ' ' ILE . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.508 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.964 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.893 HG21 HG21 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.781 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 47' ' ' ILE . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 HG22 ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.651 HG23 ' ND1' ' A' ' 67' ' ' HIS . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.918 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.637 HG21 ' NE1' ' A' ' 55' ' ' TRP . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.698 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 70' ' ' PRO . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.918 HG13 ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.893 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.964 ' HB ' HD11 ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.094 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.614 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.664 HG22 HD23 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.594 ' O ' HG11 ' A' ' 17' ' ' VAL . 4.3 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.919 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.574 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG21 HG12 ' A' ' 91' ' ' VAL . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.777 ' HB3' HD11 ' A' ' 29' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.777 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.859 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.839 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 48' ' ' LEU . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' N ' ' HE2' ' A' ' 94' ' ' MET . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 91' ' ' VAL . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.922 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.922 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 70' ' ' PRO . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.853 HG13 ' CD2' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.589 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.859 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.839 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.067 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.593 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.708 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG11 ' A' ' 17' ' ' VAL . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.067 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.638 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' CG1' ' A' ' 91' ' ' VAL . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.475 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' HG22 ' A' ' 36' ' ' VAL . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.982 HD13 HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD22 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.866 HG21 HG21 ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.729 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.034 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.034 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 52' ' ' ARG . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.475 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.639 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.866 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.925 ' HB ' HD11 ' A' ' 24' ' ' LEU . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.554 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.451 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 3.0 tt0 -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.871 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' OG ' ' A' ' 33' ' ' SER . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.664 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.888 HG21 HG21 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.835 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.812 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD11 ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE2' HD23 ' A' ' 74' ' ' LEU . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.974 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.422 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 1.8 m-70 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.768 HG13 ' CD2' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 HG23 ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 108' ' ' SER . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.888 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.97 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.827 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.827 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.778 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.514 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.638 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.885 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.891 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 74' ' ' LEU . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.882 ' CD2' HG13 ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG21 ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.6 m-70 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.882 HG13 ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' C ' ' A' ' 78' ' ' VAL . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.929 HG21 HG21 ' A' ' 36' ' ' VAL . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.068 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 4.9 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.068 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.881 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.521 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.749 ' HB3' HD11 ' A' ' 29' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.646 HD12 ' OG ' ' A' ' 33' ' ' SER . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 31' ' ' ASP . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.85 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.869 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 95' ' ' THR . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.739 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' MET . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.487 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 91' ' ' VAL . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.856 ' NE1' HG21 ' A' ' 65' ' ' VAL . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.856 HG21 ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 65' ' ' VAL . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.472 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.1 m-70 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 70' ' ' PRO . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.824 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.85 HG21 HG21 ' A' ' 36' ' ' VAL . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.683 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.065 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' HG11 ' A' ' 17' ' ' VAL . 4.2 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.065 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.801 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.865 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.858 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.857 ' CD2' HG13 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 63' ' ' THR . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 62' ' ' ASN . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.817 HG21 ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 65' ' ' VAL . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.9 m-70 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.454 HG23 ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 106' ' ' THR . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.865 HG21 HG21 ' A' ' 36' ' ' VAL . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.872 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.858 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.053 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 18' ' ' PRO . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' HG11 ' A' ' 17' ' ' VAL . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.053 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.781 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.574 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.575 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.549 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.816 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.838 HG23 ' HB3' ' A' ' 34' ' ' LEU . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.838 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 47' ' ' ILE . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE2' HD23 ' A' ' 74' ' ' LEU . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.022 ' CE2' HG11 ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.022 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 70' ' ' PRO . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 33' ' ' SER . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CG ' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.471 ' CA ' HG22 ' A' ' 32' ' ' THR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.755 ' CG ' HD22 ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.09 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.816 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.549 ' O ' HG11 ' A' ' 17' ' ' VAL . 2.7 tt0 -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.764 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.807 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' OG ' ' A' ' 33' ' ' SER . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.69 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG21 HG21 ' A' ' 89' ' ' ILE . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.83 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 95' ' ' THR . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.088 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.427 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 6.3 m-70 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.7 p30 -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 70' ' ' PRO . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.912 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 78' ' ' VAL . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.563 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.828 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.912 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.086 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.552 ' O ' HG11 ' A' ' 17' ' ' VAL . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.086 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.672 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.744 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.899 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.887 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.887 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.974 HG21 HG21 ' A' ' 89' ' ' ILE . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 74' ' ' LEU . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.506 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 67' ' ' HIS . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.024 ' CE2' HG11 ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.024 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.6 m-70 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 70' ' ' PRO . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG22 HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.888 HD11 HG22 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.603 HG22 ' CD1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 106' ' ' THR . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD1' HG22 ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.974 HG21 HG21 ' A' ' 36' ' ' VAL . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.899 ' HB ' HD11 ' A' ' 24' ' ' LEU . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.073 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.744 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.506 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 9.3 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.073 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.888 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.4 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.593 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.548 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.587 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG21 HG12 ' A' ' 91' ' ' VAL . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.767 ' HB3' HD11 ' A' ' 29' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.767 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.896 HG21 HG21 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.817 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 1.078 ' OE2' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 47' ' ' ILE . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.078 HD11 ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.994 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.994 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 70' ' ' PRO . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.668 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.839 HG13 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.564 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.896 HG21 HG21 ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG11 ' CD2' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.091 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.737 HG23 ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.508 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.091 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.748 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.798 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.587 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.915 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.538 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.915 ' HB3' HG23 ' A' ' 29' ' ' ILE . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 89' ' ' ILE . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.849 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 64.4 m-80 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 47' ' ' ILE . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' HB1' ' A' ' 93' ' ' ALA . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 95' ' ' THR . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 74' ' ' LEU . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.056 ' CE2' HG11 ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.056 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.447 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.7 m-70 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.416 ' OD1' HG13 ' A' ' 72' ' ' VAL . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 70' ' ' PRO . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.725 HG21 HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD11 HG21 ' A' ' 78' ' ' VAL . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 108' ' ' SER . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.607 ' CD2' HD22 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.778 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.817 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.441 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 3.7 tt0 -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.752 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.513 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.946 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 74' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.846 ' CZ2' HG11 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.926 ' CG1' HD21 ' A' ' 81' ' ' LEU . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.926 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.54 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.785 HD12 ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.823 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.946 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.044 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.768 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.6 tt0 -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.044 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.823 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.571 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.943 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.877 HG21 HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.907 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.646 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD23 ' A' ' 74' ' ' LEU . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.5 HG13 HG22 ' A' ' 91' ' ' VAL . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.934 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.934 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 70' ' ' PRO . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.876 HG13 ' CD2' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.491 HG23 ' C ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CD2' HD22 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.578 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.877 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.943 ' HB ' HD11 ' A' ' 24' ' ' LEU . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.063 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 1.6 tt0 -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.063 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 1.015 ' CD2' HG11 ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' HG21 ' A' ' 95' ' ' THR . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 47' ' ' ILE . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.825 ' CB ' HD12 ' A' ' 89' ' ' ILE . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG21 ' NE1' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 65' ' ' VAL . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 6.6 m-70 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 70' ' ' PRO . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' HD21 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.83 ' CG1' HD21 ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' C ' ' A' ' 78' ' ' VAL . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.83 HD21 ' CG1' ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.434 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.802 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.094 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.86 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.694 ' HB3' HD23 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.802 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.542 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG21 HG12 ' A' ' 91' ' ' VAL . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.6 ' C ' HD12 ' A' ' 81' ' ' LEU . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.876 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 95' ' ' THR . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.627 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.563 ' NE ' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.955 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.955 HG11 ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.444 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.4 p30 -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.825 ' CG1' HD21 ' A' ' 81' ' ' LEU . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 78' ' ' VAL . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.825 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.445 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.876 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.052 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.052 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.735 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.674 ' OG ' HD12 ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.693 HG21 HG12 ' A' ' 91' ' ' VAL . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 110' ' ' GLY . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.691 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG21 HG21 ' A' ' 89' ' ' ILE . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 95' ' ' THR . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 67' ' ' HIS . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.89 ' CE2' HG11 ' A' ' 65' ' ' VAL . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB3' HG23 ' A' ' 63' ' ' THR . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 60' ' ' ARG . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.432 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.2 m-70 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.452 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.492 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 78' ' ' VAL . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 106' ' ' THR . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 36' ' ' VAL . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.903 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.041 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.541 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' O ' HG11 ' A' ' 17' ' ' VAL . 2.0 tt0 -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.457 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.733 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 91' ' ' VAL . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 29' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.831 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.569 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' HD23 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 67' ' ' HIS . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 1.049 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.049 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 70' ' ' PRO . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.884 HG13 ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.829 HG21 HG21 ' A' ' 36' ' ' VAL . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.831 HG11 ' CD2' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 1.092 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.092 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.76 ' HB3' HD23 ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.24 87.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.8 169.32 9.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.89 -149.14 15.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 p -178.97 107.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 60.4 162.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.86 32.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -116.15 71.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.11 149.14 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -43.54 127.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -114.28 -60.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p 46.08 -168.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -76.76 117.62 18.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.31 138.84 16.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' VAL . 23.7 t0 -89.54 -63.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -42.7 164.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.81 -154.16 21.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.56 17.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.3 m -56.47 171.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.52 -84.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -160.94 135.77 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.604 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -61.31 141.78 57.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -142.94 130.1 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' ' 29' ' ' ILE . 18.7 m-85 -122.64 131.18 53.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.5 p -143.41 175.65 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 41.58 43.12 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -73.81 150.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.4 mt -132.67 -138.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -103.7 -25.87 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.418 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 32.8 p -150.17 28.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.595 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -163.11 127.91 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.3 pp -149.85 152.39 35.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.19 141.01 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.94 HG21 HG21 ' A' ' 89' ' ' ILE . 49.9 t -118.02 132.22 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.53 156.92 46.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -157.14 -169.5 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.08 179.74 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.76 135.63 52.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.97 150.42 38.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -8.69 87.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.3 mm-40 -106.95 39.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' ASN . 13.6 mttp -39.97 -35.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' LYS . 13.4 m-80 39.45 54.19 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.2 -159.2 19.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.6 mm -105.4 99.59 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' OH ' ' A' ' 51' ' ' TYR . 75.0 mt -40.67 135.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -105.68 -13.26 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.09 -173.24 40.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' OH ' HD13 ' A' ' 48' ' ' LEU . 67.8 m-85 -136.75 133.49 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -100.17 116.09 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 15.7 tt -108.16 147.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.25 115.16 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.903 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.4 p90 -102.89 147.63 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.0 pt-20 -168.08 151.05 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 1.1 mt-10 -50.12 -179.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -55.69 -62.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -132.58 53.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 12.7 mtt85 -142.98 84.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 64' ' ' ARG . 22.8 m -63.19 -31.47 72.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -49.31 -23.88 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.6 p -105.79 35.18 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -101.34 148.59 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -127.84 160.4 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -127.46 105.64 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -114.81 160.38 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 24.7 m-85 -131.89 139.52 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.1 mt -134.44 159.61 71.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.92 19.28 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.8 m -113.26 -26.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 m -98.22 142.64 29.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -135.25 9.69 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -141.46 150.43 42.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 31.4 t80 -157.87 142.92 16.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 6.5 ttp-105 -88.17 128.17 35.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.734 HG13 ' CD2' ' A' ' 55' ' ' TRP . 85.2 t -97.98 149.82 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.451 HG23 ' C ' ' A' ' 78' ' ' VAL . 77.8 p -152.66 149.29 28.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.379 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.58 28.09 8.15 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.628 HD21 ' CG1' ' A' ' 78' ' ' VAL . 1.6 mt -93.22 -157.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . 95.0 m -133.26 144.51 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -69.18 142.47 54.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 11.7 mt 43.62 58.66 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' SER . 1.8 m -141.11 142.28 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.5 m -79.06 131.87 36.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 22.3 m-85 -136.38 160.43 38.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.531 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -130.86 120.41 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.94 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -105.09 121.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.2 mt-10 -107.2 121.48 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.844 HG11 ' CD2' ' A' ' 38' ' ' TRP . 72.4 t -114.59 116.35 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.066 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.37 167.59 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.57 142.83 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 41.8 mtm -116.8 136.1 53.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.63 -168.41 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 t -76.11 -0.25 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.25 -40.72 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.25 -155.52 26.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' HG11 ' A' ' 17' ' ' VAL . 1.3 tt0 -99.27 144.65 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -109.49 -154.38 15.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.15 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.066 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -140.27 137.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.658 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.4 m -99.7 105.97 17.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.84 118.46 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.57 134.23 55.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.42 133.18 38.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.7 tp -146.74 130.73 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.8 t -101.16 121.58 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.047 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 35.8 p -35.22 146.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.058 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.25 -96.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -167.5 142.58 3.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.5 Cg_endo -74.99 -24.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.77 77.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.93 163.86 34.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.9 t 71.21 -63.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 p -171.56 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.55 149.35 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -139.85 168.0 20.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 174.76 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p 57.99 164.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.95 -59.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 10' ' ' LEU . . . 95.29 97.58 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.107 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.5 42.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' O ' HD22 ' A' ' 10' ' ' LEU . 23.6 mt-30 52.85 94.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 7' ' ' GLY . 1.8 mm? -126.38 174.64 8.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -160.97 160.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.55 148.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.99 166.37 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.49 85.13 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.96 125.95 35.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -69.44 -34.39 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.764 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.7 m -86.01 164.83 37.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.762 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.97 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.41 -154.35 17.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.71 15.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -58.83 168.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.01 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.95 145.95 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -71.68 144.15 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -141.74 143.67 33.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.9 m-85 -136.3 125.56 24.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -136.19 171.57 14.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 39.72 48.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 34' ' ' LEU . 5.7 mt -76.05 147.21 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD12 ' OG ' ' A' ' 33' ' ' SER . 6.0 mt -120.26 -142.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 3.5 p-10 -105.07 -21.8 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 48.7 p -150.69 26.54 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.69 128.07 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.839 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.1 pp -143.05 153.62 43.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 127.75 40.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.842 HG21 HG21 ' A' ' 89' ' ' ILE . 74.8 t -102.06 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.19 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.9 p90 -162.05 -172.76 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -133.89 177.74 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.18 134.44 52.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.35 40.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -4.7 86.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 pt-20 -113.65 37.47 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' GLU . 32.7 mttt -40.15 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' GLU . 35.9 m-80 41.25 33.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.67 177.29 18.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.1 mm -80.06 117.52 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 HG22 ' A' ' 95' ' ' THR . 56.5 mt -63.28 128.46 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -101.85 -12.02 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.12 -177.16 39.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.1 m-85 -132.23 134.11 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 0.803 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.2 ttm180 -102.56 111.09 23.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 tt -102.35 148.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.06 115.42 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.98 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.0 p90 -102.63 144.51 30.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.46 146.31 10.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -48.12 174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' THR . 16.7 t80 -51.72 -61.72 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -135.58 57.33 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -152.81 84.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 64' ' ' ARG . 18.3 m -59.47 -23.17 62.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.73 -23.97 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 p -109.11 35.21 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -96.34 156.97 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.98 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.0 p -143.97 160.01 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.7 m -130.56 105.23 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.82 162.99 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 76.9 m-85 -132.0 139.78 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -133.42 159.78 71.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 177.94 7.93 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -87.68 24.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 70' ' ' PRO . 32.8 m -118.38 -30.47 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -95.4 145.16 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -136.98 12.22 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.93 147.25 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 42.1 t80 -154.73 147.51 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 4.0 ttp180 -89.73 127.14 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 ' CD2' ' A' ' 55' ' ' TRP . 92.5 t -97.03 146.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -146.02 151.66 38.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.85 27.96 9.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 5.8 mt -92.94 -147.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' ASP . 93.3 m -150.56 148.6 28.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -60.48 137.64 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 110' ' ' GLY . 72.9 mt 37.94 60.55 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.9 m -128.91 117.77 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' TYR . 86.7 m -59.09 117.31 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 2.6 m-85 -125.37 159.38 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.535 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -126.5 116.2 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.842 HG21 HG21 ' A' ' 36' ' ' VAL . 5.0 mm -101.56 116.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -102.55 118.83 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 38' ' ' TRP . 69.6 t -110.71 116.27 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.002 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -112.66 165.55 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.73 135.61 55.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 62.7 mtm -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.762 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.5 p -120.22 -167.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.6 m -75.39 -2.13 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -108.3 -41.33 4.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.4 -148.74 15.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.764 ' O ' HG11 ' A' ' 17' ' ' VAL . 30.3 tt0 -104.82 151.34 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.58 -150.31 9.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 176.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.002 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.38 138.17 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.773 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.5 m -101.33 102.94 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.81 117.6 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.9 131.26 57.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.98 128.53 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 7.9 tp -148.14 128.36 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.614 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.69 91.76 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.713 ' O ' HG21 ' A' ' 29' ' ' ILE . 94.0 p 19.88 -131.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.508 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -144.31 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 p -179.21 140.77 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.98 128.02 11.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.4 Cg_endo -74.97 -18.7 18.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.67 86.7 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.8 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.59 14.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.5 p -142.33 137.49 30.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.9 m 63.52 138.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.76 131.8 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.97 152.25 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 155.34 26.09 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -152.42 110.26 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -138.83 164.8 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.22 92.35 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 135.14 53.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 135.1 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 13' ' ' THR . 11.9 p -159.94 140.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -117.74 107.31 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 11' ' ' VAL . 40.5 p -132.51 142.39 49.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -81.21 177.44 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.617 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.7 mt-10 -173.5 149.27 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -107.49 -56.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -43.48 165.32 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.1 Cg_endo -75.03 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.551 1.817 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.88 -151.27 23.09 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.8 13.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.22 -173.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 106.89 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.964 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.74 149.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -143.56 152.95 42.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -134.07 125.08 27.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -133.77 175.17 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 39.74 56.06 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -89.86 134.42 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.0 -121.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 20.6 p-10 -111.93 -30.84 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.2 p -145.65 17.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 p -143.02 132.17 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.03 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -155.22 150.33 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 133.5 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.893 HG21 HG21 ' A' ' 89' ' ' ILE . 58.6 t -107.33 146.35 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.43 169.56 17.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.781 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.0 p90 -177.25 164.21 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -112.79 179.09 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CD ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 mt-10 -81.19 136.29 50.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 150.69 38.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.68 -6.95 88.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.5 mm-40 -106.1 35.56 2.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 64.1 mttt -39.94 -34.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' LYS . 8.8 m-80 39.6 43.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 137.85 -161.57 25.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 47' ' ' ILE . 12.3 mm -103.08 112.55 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 HG22 ' A' ' 95' ' ' THR . 33.2 mt -60.14 141.47 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -112.59 -17.73 12.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 173.0 -168.09 41.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 74' ' ' LEU . 72.3 m-85 -142.97 137.12 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 4.6 ttm180 -100.73 114.4 28.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.651 HG23 ' ND1' ' A' ' 67' ' ' HIS . 3.3 tt -106.52 149.03 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -154.61 119.59 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.918 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.5 p90 -107.49 123.84 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.3 pt-20 -146.2 141.91 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -46.47 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -49.69 -61.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 51.2 t-20 -125.29 70.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 4.7 mtp85 -154.0 104.48 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.2 m -87.5 -1.93 58.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -85.81 -31.59 22.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.3 p -90.74 27.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -91.83 129.91 37.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.637 HG21 ' NE1' ' A' ' 55' ' ' TRP . 25.7 t -108.14 160.29 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.0 m -129.41 117.0 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.698 ' NE2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.15 142.2 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.9 m-85 -121.58 104.05 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -98.07 161.79 24.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 176.01 10.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -83.64 16.61 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 70' ' ' PRO . 18.1 m -112.05 -19.06 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -108.29 143.8 36.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.32 11.0 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.65 141.76 29.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 37.7 t80 -148.42 143.64 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.6 ttp-105 -82.32 128.36 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.918 HG13 ' CD2' ' A' ' 55' ' ' TRP . 67.2 t -102.14 146.53 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 78' ' ' VAL . 28.3 p -156.84 146.71 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.5 20.3 10.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.3 mt -82.32 -140.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -144.32 148.39 34.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.61 139.57 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 25.9 mt 41.07 59.91 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 m -137.25 148.02 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -86.67 129.54 34.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 26.4 m-85 -134.31 150.78 50.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -122.77 113.23 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.893 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -92.16 118.0 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -100.38 117.49 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.964 ' HB ' HD11 ' A' ' 24' ' ' LEU . 91.7 t -110.82 119.28 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.094 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -120.07 161.42 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.614 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -103.76 160.42 14.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 45.2 mtp -139.88 130.71 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.664 HG22 HD23 ' A' ' 48' ' ' LEU . 32.6 p -120.88 -162.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -79.79 3.78 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.76 -42.28 4.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.55 -151.82 22.14 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.594 ' O ' HG11 ' A' ' 17' ' ' VAL . 4.3 tt0 -102.42 145.19 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.19 -153.05 18.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.4 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -144.38 140.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.919 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.88 102.24 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.047 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -99.79 118.15 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.0 127.54 53.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.46 133.81 38.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 3.9 tp -147.17 133.4 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -100.68 119.64 38.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 41.6 p -38.54 146.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -60.22 -92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.47 141.87 0.55 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.574 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.2 Cg_endo -74.94 -23.73 13.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.2 OUTLIER 39.39 74.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.02 91.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.787 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 m -116.86 -49.45 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.2 m -60.48 -59.08 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -102.88 -58.25 1.91 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -45.29 -59.2 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 125.99 37.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -178.3 159.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.91 154.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.97 27.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.82 39.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 179.33 171.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.4 115.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -173.8 156.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -108.76 121.16 44.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -137.78 115.8 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 94.9 m-70 -83.31 153.77 24.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 176.85 132.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.27 -64.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -47.4 164.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.708 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.94 179.37 6.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.6 -155.74 29.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.452 1.095 . . . . 0.0 111.046 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.7 14.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG21 HG12 ' A' ' 91' ' ' VAL . 12.9 m -55.55 -170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -59.11 -146.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 127.15 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.595 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -59.58 137.09 58.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -136.6 152.68 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.777 ' HB3' HD11 ' A' ' 29' ' ' ILE . 26.1 m-85 -141.15 127.47 19.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -139.32 167.56 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 48.2 49.99 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.777 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.8 mt -84.41 135.54 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -114.05 -123.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.5 p-10 -111.1 -32.39 6.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -144.03 18.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -145.61 130.64 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.2 pp -152.49 149.18 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.78 32.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.859 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -114.31 131.07 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.5 146.64 52.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.839 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -148.14 -177.26 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -179.69 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.3 143.17 59.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.13 42.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.76 -11.44 68.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 45' ' ' ASN . 1.1 pt-20 -112.79 39.86 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.693 ' HG2' HD21 ' A' ' 48' ' ' LEU . 15.3 mttt -40.27 -29.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 43' ' ' GLU . 19.1 m-80 48.31 23.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.03 -129.16 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.2 mm -131.33 131.96 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -79.92 134.36 36.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' MET . 71.0 p -106.15 4.21 28.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.49 -179.34 37.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' N ' ' HE2' ' A' ' 94' ' ' MET . 55.0 m-85 -140.38 131.03 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -98.6 121.8 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 91' ' ' VAL . 4.6 tt -115.21 142.31 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.59 114.12 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.922 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.8 p90 -103.01 146.55 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -167.91 162.15 13.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -56.85 175.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 13.2 t80 -54.12 -61.54 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 40.0 p-10 -130.0 60.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -156.54 95.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 48.3 m -69.7 -24.59 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -48.21 -37.98 17.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -93.95 36.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -102.01 140.31 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.922 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.9 p -122.8 159.97 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -126.66 107.91 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -116.41 158.57 23.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.47 128.81 40.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -123.88 161.01 49.04 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -75.06 176.51 9.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -85.64 19.28 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 70' ' ' PRO . 10.2 m -114.18 -22.59 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -102.65 142.61 33.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -136.11 10.71 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.3 pm0 -142.35 149.66 39.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.631 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 52.0 t80 -157.44 153.78 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.631 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.2 ttp180 -96.65 125.91 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.853 HG13 ' CD2' ' A' ' 55' ' ' TRP . 61.0 t -96.24 147.6 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.8 p -154.08 145.85 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.67 23.97 8.03 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.0 mt -87.01 -141.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.789 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.8 m -146.45 152.35 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.77 138.47 54.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 33.6 mt 41.14 58.92 2.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.508 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.1 m -132.65 140.74 48.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' TYR . 89.5 m -82.37 121.06 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 17.8 m-85 -125.7 153.39 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.589 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -121.03 119.42 32.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.859 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -101.09 118.36 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.02 120.11 40.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.839 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.6 t -113.96 117.93 56.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.067 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -119.59 158.82 25.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -99.17 167.99 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.593 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 73.3 mtm -139.16 133.71 31.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.708 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.86 -166.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.1 t -82.16 6.09 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -114.88 -39.21 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.52 -151.1 20.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG11 ' A' ' 17' ' ' VAL . 8.2 tt0 -101.47 144.61 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.38 -149.18 18.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.62 178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.067 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -146.91 142.9 20.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -107.32 102.26 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -102.93 118.71 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.68 132.62 54.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -76.87 137.98 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.7 tp -149.33 132.94 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -102.63 121.19 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 29.5 p -39.14 146.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.638 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -58.89 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.6 142.02 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.07 126.49 9.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -74.96 -23.6 13.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.3 OUTLIER 38.86 78.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.36 97.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.63 9.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 p -127.88 159.05 36.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -105.67 161.33 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -171.72 98.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -121.51 160.55 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.97 81.1 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -58.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.16 130.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.86 167.49 18.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -176.83 3.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.53 114.76 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.2 mp -146.63 145.57 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER 65.61 155.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.66 -53.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.6 p -144.34 107.04 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 173.84 121.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 177.38 137.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.38 -57.03 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.53 165.63 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.28 -151.49 21.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.04 130.09 12.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' CG1' ' A' ' 91' ' ' VAL . 3.1 m -55.03 -172.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.45 -149.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.475 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.6 116.32 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.9 147.01 44.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.88 169.02 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' HG22 ' A' ' 36' ' ' VAL . 89.5 m-85 -146.29 152.83 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.47 170.06 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 41.43 55.24 3.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.982 HD13 HD11 ' A' ' 107' ' ' ILE . 2.1 mt -84.25 137.47 20.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -113.1 -124.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -113.38 -33.2 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -142.1 20.82 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.72 130.84 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD22 HD12 ' A' ' 107' ' ' ILE . 4.5 pp -150.46 151.89 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.86 136.97 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.866 HG21 HG21 ' A' ' 89' ' ' ILE . 67.7 t -112.7 144.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.79 164.2 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.729 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.7 p90 -167.6 -179.25 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -126.64 179.1 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.0 mt-10 -80.69 134.22 54.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.06 149.95 37.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.34 -7.72 88.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 16.6 mm-40 -103.95 34.48 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -38.59 -37.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LYS . 11.1 m-80 38.53 47.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.44 -162.84 24.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.7 mm -102.42 108.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 95' ' ' THR . 31.5 mt -54.96 124.66 17.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -94.87 -15.42 23.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 169.25 -172.87 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 74' ' ' LEU . 83.2 m-85 -135.41 141.35 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' CE1' ' A' ' 68' ' ' TYR . 9.6 ttp85 -105.94 107.35 18.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 10.3 tt -100.59 147.3 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.54 115.29 4.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.034 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.0 p90 -102.13 149.24 24.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' OE2' ' OE2' ' A' ' 90' ' ' GLU . 15.5 pt-20 -169.97 151.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 87' ' ' TYR . 1.2 mt-10 -53.79 174.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -52.4 -61.2 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -132.59 38.65 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 3.4 mtt180 -124.73 82.89 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 63' ' ' THR . 86.8 m -61.6 -32.76 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.12 -24.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 61' ' ' THR . 28.2 p -108.72 48.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.73 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.034 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -139.42 160.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 52' ' ' ARG . 18.6 m -135.69 107.09 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.09 166.68 11.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' A' ' 52' ' ' ARG . 31.3 m-85 -132.46 138.55 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.96 159.62 71.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.0 Cg_endo -75.02 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -87.3 18.39 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.9 m -113.3 -22.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -103.02 144.15 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.05 11.69 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -143.74 151.04 39.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 55.3 t80 -158.06 153.9 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.84 125.02 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.5 t -95.01 152.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 78' ' ' VAL . 74.3 p -154.19 154.38 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 32.42 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -96.27 -147.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 24.8 m -139.07 147.39 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ASP . . . -69.29 142.63 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.0 mt 40.37 53.64 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.475 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.3 m -132.7 144.9 50.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.7 m -83.08 134.9 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -138.52 157.7 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.639 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -123.72 120.45 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.866 HG21 HG21 ' A' ' 36' ' ' VAL . 4.3 mm -102.07 116.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -101.42 121.87 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.925 ' HB ' HD11 ' A' ' 24' ' ' LEU . 92.4 t -113.36 118.23 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.64 162.18 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -105.87 162.17 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.554 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 79.3 mtm -133.31 125.28 28.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 18' ' ' PRO . 10.0 p -121.89 -165.57 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -71.76 -14.07 61.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -51.62 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.61 -128.46 1.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.451 ' NE2' ' CZ ' ' A' ' 52' ' ' ARG . 3.0 tt0 -112.69 132.58 55.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -98.05 -163.28 30.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -44.22 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.8 p -137.97 141.41 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.871 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -103.12 101.79 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -98.66 117.02 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.31 131.35 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 122.79 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -141.66 128.21 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.0 t -102.29 137.1 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 96.1 p -46.43 162.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -75.54 -87.06 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.92 142.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.74 19.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.6 117.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.28 -152.97 43.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.18 41.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.0 m -107.65 155.81 19.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.99 94.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -120.19 161.39 21.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -45.16 -61.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.1 -136.13 8.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.99 105.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -60.77 125.95 25.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.41 89.09 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.35 11.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -120.07 -65.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp 68.57 117.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -173.99 130.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 115.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 13' ' ' THR . 14.7 t -159.05 56.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.17 126.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.631 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -144.66 152.05 39.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -109.95 -22.23 11.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -99.49 165.09 15.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.84 5.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.97 -153.99 20.98 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.04 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -57.35 171.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -38.06 -92.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -150.76 136.91 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -65.68 139.98 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -142.72 146.18 34.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' CE2' ' HB ' ' A' ' 107' ' ' ILE . 18.6 m-85 -135.38 133.54 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.3 m -138.84 170.86 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 40.42 55.13 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.4 mt -81.73 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' OG ' ' A' ' 33' ' ' SER . 8.5 mt -127.61 -137.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 19.7 p-10 -106.4 -23.97 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.42 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 50.8 p -151.86 26.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.664 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -159.87 128.36 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.2 pp -150.68 151.72 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 137.28 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.888 HG21 HG21 ' A' ' 89' ' ' ILE . 54.6 t -111.8 139.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.41 153.4 45.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.835 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.7 p90 -154.46 -167.43 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.68 178.57 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' CG ' ' HE2' ' A' ' 44' ' ' LYS . 2.4 mt-10 -80.56 137.07 51.61 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.88 35.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.33 -4.49 51.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 4.3 mm-40 -92.71 -88.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.812 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.8 mmtp 88.86 -35.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.5 m-80 39.37 30.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 137.25 177.52 15.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.2 mm -72.45 110.24 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD11 ' HD3' ' A' ' 44' ' ' LYS . 46.5 mt -50.39 146.34 5.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.66 -18.32 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 168.57 -168.4 40.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE2' HD23 ' A' ' 74' ' ' LEU . 67.7 m-85 -140.72 141.79 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.4 ttm180 -110.99 104.82 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 tt -95.51 147.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.9 111.5 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.974 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.3 p90 -101.2 148.23 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.057 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -166.28 154.91 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -56.5 169.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -43.68 -61.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -136.6 51.4 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 14.8 mtt180 -137.74 85.64 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 m -60.27 -19.53 55.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.2 p-10 -60.43 -15.08 22.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 p -111.57 25.98 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.31 134.5 34.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.5 p -122.64 159.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.7 m -125.48 111.56 15.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.422 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 1.8 m-70 -121.97 156.32 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 78.1 m-85 -130.71 130.21 43.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.57 160.01 57.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -86.19 18.22 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.1 m -113.17 -21.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 143.95 32.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.621 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.24 12.26 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -144.06 151.27 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.628 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 58.6 t80 -157.44 154.38 28.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 5.5 ttp85 -93.91 125.02 38.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.768 HG13 ' CD2' ' A' ' 55' ' ' TRP . 88.0 t -96.71 147.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 HG23 ' C ' ' A' ' 78' ' ' VAL . 67.4 p -153.59 148.39 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.88 26.14 8.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -90.1 -153.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.41 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 32.7 m -136.44 141.56 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -62.11 142.69 57.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 19.1 mt 38.56 61.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 108' ' ' SER . 3.2 m -142.02 141.52 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.1 m -78.47 134.58 37.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.1 m-85 -136.94 163.45 30.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 89' ' ' ILE . 1.1 m -129.54 124.83 34.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.888 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -108.91 116.2 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.97 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 49.3 mt-10 -99.87 120.92 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 38' ' ' TRP . 77.9 t -116.35 117.23 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.827 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -105.56 131.41 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 30.2 mtp -102.48 139.32 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.7 p -120.1 -166.88 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.7 m -75.76 -2.98 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -103.93 -45.72 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 169.56 -137.37 4.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 14.2 tt0 -112.32 144.88 41.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.51 -156.2 22.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 172.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.827 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.4 p -142.19 136.72 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.778 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.3 m -99.35 102.88 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.56 117.16 31.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.48 128.72 55.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 129.46 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.553 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -142.45 132.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -101.68 121.81 42.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 13.2 p -36.6 146.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.514 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.5 -88.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.638 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.0 p -177.09 143.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.47 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.8 66.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 p -164.71 119.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.8 m -74.71 170.9 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -172.83 142.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -124.44 124.73 42.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 -167.81 19.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -162.0 131.33 4.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -72.16 106.49 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.27 -150.3 8.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.61 7.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.429 1.752 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB3' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -128.41 -72.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 9' ' ' GLN . 1.0 OUTLIER -161.02 162.57 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.85 130.4 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -82.43 104.62 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -127.33 122.24 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -64.99 130.12 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.607 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -171.18 142.96 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -54.01 -64.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.0 OUTLIER -46.01 164.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.96 179.76 5.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.22 -154.7 28.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.142 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 130.26 13.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m -52.72 -175.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.35 -158.41 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.42 107.63 16.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 109.646 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.885 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -51.75 150.52 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -143.7 146.83 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.8 m-85 -129.2 134.39 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.9 m -144.82 169.54 17.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 46.05 54.27 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -88.95 134.0 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -116.4 -125.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.9 p-10 -106.82 -29.24 9.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 18.7 p -150.23 24.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -147.71 129.81 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 34' ' ' LEU . 3.3 pp -155.28 148.91 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 132.75 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 89' ' ' ILE . 53.8 t -108.17 137.75 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.01 157.15 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.891 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.9 p90 -162.44 174.9 12.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.49 -178.98 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -78.59 140.96 59.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.5 Cg_endo -74.9 151.78 40.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.788 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.04 -32.9 58.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.9 mm-40 -86.39 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.5 mttt -40.86 -33.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 43.21 27.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.07 -128.9 4.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 9.7 mm -131.29 140.81 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -89.02 141.68 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' MET . 24.0 p -110.32 1.56 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 164.51 -179.65 39.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 74' ' ' LEU . 68.2 m-85 -140.51 127.5 20.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.48 126.66 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 67' ' ' HIS . 18.0 tt -115.64 147.41 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 113.31 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.882 ' CD2' HG13 ' A' ' 78' ' ' VAL . 7.2 p90 -103.68 118.79 37.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 57' ' ' GLU . 5.5 pt-20 -135.12 143.48 46.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 3.2 mt-10 -48.05 176.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' THR . 44.7 t80 -50.59 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 2.2 t-20 -127.69 65.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.0 mtt180 -158.26 104.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -79.21 -24.69 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.45 -17.64 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 p -101.37 23.73 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.1 ttt180 -94.66 146.36 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG21 ' NE1' ' A' ' 55' ' ' TRP . 55.7 t -119.12 159.62 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 m -129.09 106.28 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.543 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.6 m-70 -120.32 159.9 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.6 127.08 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 3.2 mt -122.68 161.25 44.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.04 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.5 p-10 -84.41 19.01 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 70' ' ' PRO . 13.5 m -113.94 -21.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 m -103.46 144.42 31.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -137.68 11.68 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.4 pm0 -146.16 144.07 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 63.8 t80 -149.64 152.3 35.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.9 ttp180 -92.41 123.5 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.882 HG13 ' CD2' ' A' ' 55' ' ' TRP . 37.5 t -96.92 145.12 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.443 HG23 ' C ' ' A' ' 78' ' ' VAL . 32.4 p -153.43 145.53 23.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.91 18.83 11.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.7 mt -80.84 -141.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -144.27 146.41 32.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -71.93 137.53 47.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' ' OG ' ' A' ' 109' ' ' SER . 12.1 mt 48.18 56.48 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.9 m -138.16 144.1 40.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 106' ' ' THR . 82.7 m -85.87 117.59 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 81' ' ' LEU . 8.7 m-85 -121.17 151.06 40.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.57 113.72 20.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.929 HG21 HG21 ' A' ' 36' ' ' VAL . 5.3 mm -94.88 119.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.08 118.25 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 38' ' ' TRP . 90.8 t -113.6 120.55 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.068 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -122.5 158.61 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . . . -97.21 167.46 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 73.8 mtm -140.25 132.99 29.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.2 -166.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.7 p -82.86 6.44 18.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -115.27 -39.27 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.92 -154.91 26.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 4.9 tt0 -100.86 142.97 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.33 -152.12 23.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.39 169.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.068 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.41 138.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.881 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.4 m -101.03 102.95 14.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -104.74 117.91 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.08 130.89 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.5 m -76.82 137.9 39.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.521 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.5 tp -148.89 131.36 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.3 t -98.13 117.5 32.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 32.0 p -37.41 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -64.76 -94.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -175.27 142.39 0.69 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.51 10.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.92 17.27 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.487 1.782 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -42.43 123.07 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.49 161.87 33.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 75.65 3.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.8 p -106.93 110.28 22.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.6 p -124.37 -57.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -178.21 161.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -175.0 159.7 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.4 144.44 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.84 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -167.77 165.26 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.25 150.08 5.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.46 24.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -146.26 98.89 3.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.65 88.56 2.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.6 p -75.4 111.45 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -173.5 147.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -60.42 105.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 54.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 61.75 145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.07 -56.14 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.4 m -42.94 164.31 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.01 179.48 6.05 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.55 -151.87 26.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 127.92 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 18.1 m -54.65 -169.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -57.49 -155.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -93.67 117.1 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -52.02 135.57 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -143.12 150.5 39.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.749 ' HB3' HD11 ' A' ' 29' ' ' ILE . 24.4 m-85 -135.49 134.12 39.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.5 169.45 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 39.78 54.09 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.6 mt -82.09 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD12 ' OG ' ' A' ' 33' ' ' SER . 7.3 mt -125.33 -137.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 11.3 p-10 -105.75 -24.83 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 31' ' ' ASP . 75.9 p -151.6 27.64 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.646 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -160.82 127.91 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.5 pp -151.95 150.18 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.49 137.18 32.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.85 HG21 HG21 ' A' ' 89' ' ' ILE . 69.6 t -112.73 137.91 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p -138.73 151.31 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.869 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -154.14 -176.99 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 107.98 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.83 -179.17 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 2.2 mt-10 -78.57 140.23 59.52 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -74.99 152.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.28 -33.14 57.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -86.03 44.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' C ' ' N ' ' A' ' 46' ' ' GLY . 15.0 mttt -41.39 -32.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 42.1 28.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.76 -128.32 3.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 95' ' ' THR . 10.1 mm -132.46 140.4 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.739 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.94 141.31 28.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' MET . 62.2 p -109.89 1.45 19.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.46 -178.51 40.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.8 m-85 -141.04 129.29 22.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 0.762 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 ttm180 -93.44 124.45 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 91' ' ' VAL . 6.5 tt -114.94 147.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -153.07 118.28 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.856 ' NE1' HG21 ' A' ' 65' ' ' VAL . 6.6 p90 -108.51 119.92 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' GLU . 10.5 pt-20 -138.82 142.87 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.502 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.6 OUTLIER -48.05 177.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.26 -61.53 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 16.4 t-20 -128.81 65.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -154.15 109.16 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.1 m -86.4 -3.88 59.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.6 -38.27 62.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.4 p -89.48 40.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.03 143.16 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.856 HG21 ' NE1' ' A' ' 55' ' ' TRP . 87.7 t -126.54 160.49 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 65' ' ' VAL . 37.4 m -143.34 99.23 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.472 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 7.1 m-70 -111.39 160.51 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.7 m-85 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.47 161.24 36.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.3 Cg_endo -75.0 174.39 12.87 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.6 p-10 -83.88 18.28 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 70' ' ' PRO . 4.9 m -113.66 -20.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -107.0 145.86 31.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.69 12.03 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -142.97 150.9 40.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 68.8 t80 -157.26 153.94 28.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 3.5 ttp180 -92.91 124.19 36.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.824 HG13 ' CD2' ' A' ' 55' ' ' TRP . 93.4 t -96.84 140.8 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 78' ' ' VAL . 73.1 p -150.77 145.2 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.92 21.41 8.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt -85.7 -154.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.779 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.4 m -133.73 146.1 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -65.46 141.45 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 30.3 mt 39.83 61.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 2.3 m -140.03 148.55 42.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -84.58 127.92 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.5 m-85 -133.67 142.08 47.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.99 111.78 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.85 HG21 HG21 ' A' ' 36' ' ' VAL . 4.1 mm -92.2 120.41 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.683 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.1 mt-10 -103.92 117.83 35.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 38' ' ' TRP . 68.8 t -111.72 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.065 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -120.68 157.01 30.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.74 167.95 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 mtm -140.95 132.99 27.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.62 -166.92 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -80.64 5.22 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -113.92 -39.28 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.05 -153.3 24.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' HG11 ' A' ' 17' ' ' VAL . 4.2 tt0 -100.51 145.62 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -107.3 -149.66 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -49.28 178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.065 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -147.48 142.01 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.801 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.3 m -107.18 102.85 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -103.44 118.17 36.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.8 130.88 55.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 133.55 39.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.4 tp -145.81 130.85 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 4.0 t -100.1 119.7 38.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 40.3 p -38.08 145.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -88.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.2 p -177.25 143.25 0.53 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.01 126.05 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.19 16.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 115.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.73 175.83 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 84.5 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p -84.4 166.17 17.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.9 80.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -77.85 126.1 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -162.32 93.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.16 -134.6 48.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 p -166.18 134.99 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p 179.49 153.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.4 158.33 12.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -47.35 155.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.32 90.44 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t 63.86 97.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.79 116.65 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -133.08 153.49 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.27 165.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -83.75 -45.93 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -51.83 164.39 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -74.98 179.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 43' ' ' GLU . . . -95.12 -156.06 31.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.33 12.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.574 1.828 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -53.69 -175.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -165.21 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -80.49 128.28 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.0 OUTLIER -58.28 139.29 55.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 t -139.35 148.15 42.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.1 m-85 -137.86 128.54 26.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 m -135.21 172.78 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 40.41 53.58 2.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.5 mt -86.16 134.29 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.9 mm? -111.75 -122.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 21.5 p-10 -111.84 -30.47 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.9 p -145.52 17.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -144.49 130.67 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.4 pp -150.79 151.36 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.67 126.64 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.865 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -99.14 137.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.47 142.62 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.858 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.8 p90 -148.21 176.34 10.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -125.46 -178.79 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.67 144.09 64.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 18.1 Cg_endo -75.0 153.18 41.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.42 65.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 2.1 pm0 -106.51 44.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 34.9 mttp -40.4 -39.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.32 18.29 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.51 -142.31 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.0 mm -119.58 130.06 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.18 134.29 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' MET . 48.8 p -105.21 0.54 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.23 -178.43 40.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 96.7 m-85 -138.9 129.99 26.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.84 113.99 26.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 8.2 tt -103.53 146.49 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.26 109.96 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.857 ' CD2' HG13 ' A' ' 78' ' ' VAL . 5.5 p90 -101.84 144.47 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE1' ' OE1' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -163.94 159.63 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.2 mt-10 -55.0 -170.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.45 -61.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 t-20 -124.21 68.91 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.9 mtt85 -156.99 113.67 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 m -89.24 -23.22 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 63' ' ' THR . 9.1 p30 -67.69 -16.72 64.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 62' ' ' ASN . 1.8 p -105.38 39.24 1.78 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -101.83 141.13 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.817 HG21 ' NE1' ' A' ' 55' ' ' TRP . 47.7 t -112.64 160.56 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 65' ' ' VAL . 96.2 m -135.7 101.03 4.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.459 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.9 m-70 -117.06 155.66 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.48 131.75 53.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -128.13 160.49 61.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 175.88 10.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.1 p-10 -85.27 20.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' PRO . 7.9 m -115.82 -22.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.63 143.85 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -137.26 11.91 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -145.01 146.69 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.9 t80 -152.38 153.79 34.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 8.9 ttp180 -91.8 121.93 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.8 t -93.48 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.454 HG23 ' C ' ' A' ' 78' ' ' VAL . 80.8 p -152.72 147.02 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 23.13 8.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.1 mt -86.45 -144.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -143.37 150.74 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -69.83 138.47 52.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 41.8 58.42 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 m -137.23 144.06 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.402 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 106' ' ' THR . 85.9 m -81.61 128.97 34.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 81' ' ' LEU . 12.2 m-85 -133.37 147.55 51.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.2 m -115.27 118.42 33.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.865 HG21 HG21 ' A' ' 36' ' ' VAL . 5.9 mm -99.77 118.7 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.872 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mt-10 -104.68 127.81 52.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.858 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.8 t -122.82 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.053 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -124.91 159.54 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.31 168.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.0 mtp -139.54 127.25 21.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 18' ' ' PRO . 2.0 p -121.86 -167.44 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -13.24 62.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.2 mmpt? -87.55 -53.93 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.33 -106.9 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' HG11 ' A' ' 17' ' ' VAL . 21.9 tt0 -129.99 146.79 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -108.52 -160.31 20.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.43 173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.053 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -142.32 146.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.781 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.4 m -113.43 106.08 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.04 118.39 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 130.45 55.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -76.86 135.55 38.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.8 tp -147.01 132.16 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 t -100.21 119.61 38.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -39.43 140.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.574 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -54.53 -90.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.575 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.76 142.1 0.46 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.12 18.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.43 87.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 133.88 -91.18 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 p -116.08 -43.66 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m -144.8 146.73 32.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 56.32 100.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -141.97 80.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.28 134.76 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -161.99 101.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -81.08 170.46 16.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.61 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -169.36 144.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -118.84 72.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 155.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -168.84 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -122.82 175.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -119.99 138.68 53.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.37 -56.16 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.549 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -43.3 164.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.816 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.92 -179.88 5.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.52 -150.9 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.01 18.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.754 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 m -55.85 -176.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.43 -82.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.99 130.95 5.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.626 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -60.74 141.11 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t -143.09 146.49 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -135.8 127.52 29.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -138.89 170.85 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 38.89 56.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.838 HG23 ' HB3' ' A' ' 34' ' ' LEU . 3.3 mt -85.46 136.25 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.0 mm? -108.7 -128.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 13.3 p-10 -111.5 -33.45 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 81' ' ' LEU . 20.8 p -139.09 27.27 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -162.39 141.89 9.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.838 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -153.58 154.72 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -93.3 122.3 35.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 86.9 t -99.2 141.58 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.01 158.96 43.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.3 p90 -164.89 -176.98 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.24 179.86 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.7 mt-10 -80.31 134.7 54.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.96 38.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.54 -15.65 77.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 20.9 mm-40 -99.44 37.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -40.05 -35.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 40.07 52.07 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.24 -155.5 18.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 47' ' ' ILE . 10.9 mm -106.64 113.21 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 95' ' ' THR . 45.7 mt -56.46 132.67 51.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -100.6 -17.5 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.7 178.24 37.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE2' HD23 ' A' ' 74' ' ' LEU . 74.9 m-85 -125.87 146.75 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -109.77 124.35 51.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tt -112.93 143.09 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.86 113.56 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.022 ' CE2' HG11 ' A' ' 65' ' ' VAL . 34.4 p90 -102.97 118.74 37.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 57' ' ' GLU . 14.9 pt-20 -134.8 136.86 42.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 87' ' ' TYR . 1.9 mt-10 -43.47 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -43.25 -61.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -137.24 50.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 6.6 mtt-85 -137.08 102.66 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.6 m -77.22 -11.92 59.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.78 -16.71 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 44.3 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.51 26.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.022 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.2 p -136.03 152.14 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -128.44 109.1 11.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -123.15 165.04 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -131.83 143.04 49.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.49 159.31 72.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.49 21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 70' ' ' PRO . 22.9 m -117.36 -23.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -100.87 140.7 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -132.09 7.92 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.4 pm0 -140.71 149.28 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 24.9 t80 -157.48 148.38 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.658 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.93 134.06 40.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -103.85 147.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 33' ' ' SER . 8.4 p -146.09 144.0 29.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . 109.38 -8.0 32.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD22 ' CG ' ' A' ' 87' ' ' TYR . 38.7 mt -53.53 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CA ' HG22 ' A' ' 32' ' ' THR . 26.8 m -116.32 141.17 48.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -62.99 139.54 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.2 mt 40.6 61.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 16.2 m -138.01 150.38 46.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -89.72 130.23 36.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.755 ' CG ' HD22 ' A' ' 81' ' ' LEU . 25.7 m-85 -137.72 159.93 40.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HB1' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -128.18 109.0 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 2.9 mm -86.65 120.48 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.65 118.59 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 82.3 t -114.28 113.37 43.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.09 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -113.29 162.18 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.1 148.47 30.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 8.6 mtp -125.56 137.83 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.816 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.0 p -120.03 -165.52 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -77.18 1.41 18.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -110.02 -41.77 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.89 -156.25 27.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.549 ' O ' HG11 ' A' ' 17' ' ' VAL . 2.7 tt0 -96.84 144.27 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 0.737 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.474 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -108.08 -152.53 16.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -143.03 141.92 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.764 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.0 m -106.57 101.68 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -100.21 118.95 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.57 129.9 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 131.73 38.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.427 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 tp -147.41 130.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.8 t -95.63 120.32 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 93.4 p -36.74 152.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.26 -93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -176.24 142.19 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 126.38 9.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.11 107.35 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.14 18.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.52 128.54 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -160.28 161.1 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.45 80.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -169.06 150.92 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 79.82 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.86 129.08 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -69.56 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 114.13 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -82.83 157.5 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 107.88 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -173.83 144.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 13' ' ' THR . 6.9 ttt-85 -143.51 -58.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 12' ' ' ARG . 14.1 t 49.66 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 7.0 t-80 -91.25 165.76 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 1.1 mt-10 176.7 160.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -112.46 -49.56 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.1 m -43.93 164.98 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.0 178.39 7.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.73 -155.11 29.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 HG12 ' A' ' 91' ' ' VAL . 12.4 m -54.42 -172.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.43 -157.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -89.48 124.21 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.59 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.9 OUTLIER -54.76 139.22 40.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.1 m -141.53 145.15 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.807 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.4 m-85 -134.81 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -136.33 168.27 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 42.23 51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.5 mt -79.46 149.9 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' OG ' ' A' ' 33' ' ' SER . 10.3 mt -127.42 -134.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 6.6 p-10 -110.44 -23.92 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -149.76 22.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.69 ' OG ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -157.65 129.37 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -152.88 158.15 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -98.46 141.09 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG21 HG21 ' A' ' 89' ' ' ILE . 55.3 t -119.82 127.09 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.39 157.17 35.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.83 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.0 p90 -160.74 175.01 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -179.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.6 mt-10 -78.4 141.19 61.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -75.04 150.7 38.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.77 -31.82 62.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.04 44.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 46' ' ' GLY . 13.6 mttp -41.51 -32.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 41.97 28.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 138.9 -129.56 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 95' ' ' THR . 9.1 mm -131.35 139.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.77 140.04 30.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' MET . 53.0 p -107.44 1.24 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.59 -177.62 39.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 74' ' ' LEU . 92.3 m-85 -138.37 133.66 33.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 6.2 ttm180 -100.01 110.86 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tt -104.3 147.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.58 117.09 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.088 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.3 p90 -103.79 123.9 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.97 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' ' OE2' ' A' ' 90' ' ' GLU . 4.9 pt-20 -139.13 139.13 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 87' ' ' TYR . 2.2 mt-10 -47.57 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -53.91 -62.26 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -131.86 61.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -157.05 105.03 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.4 m -77.28 -23.81 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.05 -20.8 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -107.2 39.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -101.33 147.24 26.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.8 p -134.38 154.07 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.427 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 6.3 m-70 -117.34 164.69 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 44.6 m-85 -132.09 141.31 49.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 10.7 mt -133.68 160.03 70.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.2 Cg_endo -74.99 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.7 p30 -84.26 21.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 70' ' ' PRO . 5.1 m -116.8 -23.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -102.72 144.04 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -135.6 10.32 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.6 pm0 -141.34 150.86 43.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 54.7 t80 -158.19 153.23 25.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.636 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -94.93 126.3 40.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.912 HG13 ' CD2' ' A' ' 55' ' ' TRP . 59.4 t -97.62 143.39 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 78' ' ' VAL . 72.1 p -150.95 147.44 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.49 8.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.6 mt -84.48 -144.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 10.0 m -145.03 142.15 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -60.55 138.55 58.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 32.8 mt 41.16 60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.453 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 6.2 m -137.51 141.07 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 58.1 m -80.85 130.85 35.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.3 m-85 -137.51 153.36 50.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.563 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -123.99 117.08 23.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.828 HG21 HG21 ' A' ' 36' ' ' VAL . 4.9 mm -97.1 118.79 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.912 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 9.6 mt-10 -101.97 115.51 30.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 38' ' ' TRP . 80.6 t -107.28 117.11 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.086 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -117.68 159.07 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -101.04 167.31 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 13.4 mtm -139.64 130.67 26.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -119.61 -166.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -81.15 4.81 18.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -112.24 -42.29 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 163.26 -148.48 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.552 ' O ' HG11 ' A' ' 17' ' ' VAL . 11.3 tt0 -103.5 145.31 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.733 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -106.75 -151.3 18.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.086 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -150.91 148.41 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.672 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.6 m -112.72 102.09 10.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -97.6 120.94 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.36 126.2 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.4 131.89 39.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.5 tp -146.46 130.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' SER . 37.1 t -100.31 120.02 39.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' SER . 9.8 p -37.03 137.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -55.07 -85.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -178.34 142.71 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.781 . . . . 0.0 109.231 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.58 10.06 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 53.46 3.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.64 131.99 35.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.25 155.02 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.04 3.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.1 p -78.99 -11.98 60.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -85.75 -59.03 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -92.14 159.16 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 t -116.05 154.02 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 -66.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -41.4 160.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -131.23 79.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -123.51 5.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.56 7.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.2 168.1 20.57 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.55 138.13 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.2 t 63.76 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -141.3 140.64 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -144.91 -177.53 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -96.8 132.34 42.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.24 147.57 46.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -76.52 -61.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' HB ' ' CA ' ' A' ' 100' ' ' GLY . 1.1 m -42.88 164.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.744 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.4 Cg_endo -74.94 -179.23 4.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.08 -152.89 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.88 20.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -61.05 -176.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.55 -140.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.19 104.19 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.899 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -48.57 152.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 t -143.26 152.6 41.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -135.22 126.18 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 p -142.74 176.37 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 42.21 47.75 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.887 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mt -82.64 139.97 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.4 mm? -117.01 -126.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.1 OUTLIER -112.32 -32.11 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' THR . 13.0 p -139.85 25.4 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 6.9 p -161.71 144.0 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.887 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.6 pp -154.98 163.41 40.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -101.65 126.0 48.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.974 HG21 HG21 ' A' ' 89' ' ' ILE . 74.3 t -102.5 144.86 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -145.98 162.1 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.634 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.9 p90 -166.81 -169.58 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.95 179.72 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.9 mt-10 -80.82 133.17 55.6 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' HD11 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.02 151.62 39.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.31 -15.02 77.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 13.7 mm-40 -99.91 38.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.6 mttp -42.45 -33.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LYS . 23.5 m-80 39.04 44.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.32 -158.42 22.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.5 mm -103.84 109.92 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' CG2' ' A' ' 95' ' ' THR . 45.1 mt -52.95 133.39 38.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -99.81 -17.28 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.67 41.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 74' ' ' LEU . 79.0 m-85 -133.41 123.09 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.506 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 6.9 ttm180 -89.18 119.32 29.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 67' ' ' HIS . 4.6 tt -106.52 145.85 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -152.07 111.15 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.024 ' CE2' HG11 ' A' ' 65' ' ' VAL . 16.1 p90 -102.57 145.95 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -165.55 161.96 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 178.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.02 -60.42 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t-20 -128.49 62.71 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -156.01 119.05 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' ARG . 20.9 m -88.17 -26.47 22.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 -38.21 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 p -91.88 35.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -95.81 124.24 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.024 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.9 p -110.25 153.47 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -122.64 116.33 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.6 m-70 -127.59 158.81 36.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 59.4 m-85 -131.63 128.57 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mt -121.83 160.19 47.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.98 177.74 8.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -88.68 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 70' ' ' PRO . 35.1 m -125.14 -33.31 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -90.77 142.71 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -133.34 9.03 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 6.7 pt-20 -140.87 149.52 42.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 6.5 t80 -160.27 137.35 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.645 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 9.6 ttp180 -85.38 133.82 34.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG22 HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -103.34 151.92 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 78' ' ' VAL . 43.3 p -154.11 142.76 20.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.62 6.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.888 HD11 HG22 ' A' ' 78' ' ' VAL . 1.7 mt -91.81 -149.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 31' ' ' ASP . 10.8 m -130.63 148.81 52.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -70.46 141.96 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.3 mt 39.03 60.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.603 HG22 ' CD1' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -136.82 141.96 42.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.391 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 106' ' ' THR . 86.9 m -81.07 118.77 22.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD1' HG22 ' A' ' 85' ' ' THR . 12.5 m-85 -123.44 145.06 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 108.79 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.974 HG21 HG21 ' A' ' 36' ' ' VAL . 3.8 mm -88.21 117.91 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.3 mt-10 -102.69 115.7 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.899 ' HB ' HD11 ' A' ' 24' ' ' LEU . 23.6 t -114.0 118.24 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.073 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -114.34 164.7 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.59 131.7 55.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 13.9 mtp -109.6 137.22 47.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.744 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.3 p -119.53 -167.12 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -77.13 1.22 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -109.34 -40.54 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 164.19 -149.67 17.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.506 ' NE2' ' NE ' ' A' ' 52' ' ' ARG . 9.3 tt0 -105.18 140.84 37.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -104.62 -153.02 22.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -46.76 174.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.073 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -142.97 133.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.888 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -97.37 102.06 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.952 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -102.27 116.49 32.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 132.53 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.4 HG22 ' CG2' ' A' ' 86' ' ' THR . 1.4 m -76.42 138.04 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.593 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 4.5 tp -151.09 131.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.7 t -98.53 119.02 36.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 46.0 p -36.96 150.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.548 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.31 -90.3 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.587 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.6 p -176.91 142.2 0.52 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 126.48 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -15.54 20.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.39 99.78 8.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.4 96.35 2.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.82 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 161.95 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.97 -59.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -107.38 -58.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -56.2 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.48 -102.08 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.42 154.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -61.17 135.43 57.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.7 93.42 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.97 4.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.07 95.13 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.48 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -171.53 120.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.91 140.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -57.59 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.78 179.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.18 155.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' VAL . 3.8 t0 -124.45 -57.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -43.09 165.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.5 Cg_endo -75.01 179.36 6.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.56 -160.43 32.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' CA ' ' HB3' ' A' ' 101' ' ' GLN . 18.1 Cg_endo -75.0 123.25 7.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG21 HG12 ' A' ' 91' ' ' VAL . 19.8 m -50.32 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -56.08 -160.61 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -83.35 136.04 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -65.46 137.7 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -136.61 141.91 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.767 ' HB3' HD11 ' A' ' 29' ' ' ILE . 21.7 m-85 -132.41 125.95 31.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.6 p -133.23 175.52 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 38.91 52.55 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.767 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.2 mt -84.91 132.88 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -111.32 -125.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.4 p-10 -111.57 -33.0 6.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 36.1 p -141.37 19.7 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.18 133.06 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.7 pp -152.77 148.52 27.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.29 136.2 33.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.896 HG21 HG21 ' A' ' 89' ' ' ILE . 78.8 t -112.21 132.93 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 p -137.06 140.68 42.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.817 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.1 p90 -139.58 -170.68 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.039 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -179.86 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 1.078 ' OE2' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -78.2 137.72 60.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' ' CD ' ' A' ' 40' ' ' GLU . 18.4 Cg_endo -75.03 158.58 42.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.82 7.63 53.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 9.3 mm-40 -133.54 74.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 7.3 mttp -62.65 -45.97 90.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 19.8 m-80 39.75 68.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.74 176.22 22.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 47' ' ' ILE . 20.4 mm -87.53 108.46 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.078 HD11 ' OE2' ' A' ' 40' ' ' GLU . 43.6 mt -39.46 151.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' ' CA ' ' A' ' 95' ' ' THR . 5.1 p -127.65 0.71 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.445 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 147.57 -178.2 25.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' HD23 ' A' ' 74' ' ' LEU . 65.8 m-85 -133.49 138.34 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -103.57 110.34 22.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -105.43 147.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.81 114.45 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.994 ' CE2' HG11 ' A' ' 65' ' ' VAL . 4.9 p90 -102.91 148.19 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.4 pt-20 -168.57 154.14 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.5 mt-10 -51.87 -175.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -65.71 -62.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 42.8 p-10 -126.47 67.03 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 4.4 mtp85 -157.53 100.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 m -77.56 -11.83 59.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' OD1' ' CG2' ' A' ' 63' ' ' THR . 12.2 p30 -77.73 -3.51 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.464 ' CG2' ' OD1' ' A' ' 62' ' ' ASN . 37.0 p -118.25 29.67 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -98.23 139.16 34.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.994 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.2 p -120.23 159.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -126.39 115.09 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -125.2 160.73 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.12 131.18 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mt -126.53 161.2 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.04 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 71' ' ' ASN . 10.2 p-10 -84.67 19.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 70' ' ' PRO . 15.3 m -116.29 -17.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 m -105.27 141.25 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.668 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -134.26 7.9 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -139.68 150.11 44.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.623 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 47.0 t80 -158.14 151.68 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -96.47 128.6 43.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.839 HG13 ' CD2' ' A' ' 55' ' ' TRP . 80.8 t -98.63 150.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.45 HG23 ' C ' ' A' ' 78' ' ' VAL . 58.4 p -153.18 144.82 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.83 24.18 7.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 78' ' ' VAL . 2.9 mt -89.4 -153.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -134.66 151.4 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.471 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 112' ' ' PRO . . . -72.89 143.57 47.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' N ' ' OG ' ' A' ' 109' ' ' SER . 15.4 mt 40.24 60.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -140.9 144.43 35.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.3 m -82.64 127.9 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.8 m-85 -132.57 153.53 50.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.564 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -120.69 121.67 38.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.896 HG21 HG21 ' A' ' 36' ' ' VAL . 6.2 mm -104.86 119.98 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 1.5 mt-10 -104.97 127.13 52.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG11 ' CD2' ' A' ' 38' ' ' TRP . 75.7 t -119.11 122.92 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.091 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -127.28 152.68 47.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -97.45 160.17 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 76.5 mtm -133.09 132.13 41.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.737 HG23 ' HG3' ' A' ' 18' ' ' PRO . 6.3 p -121.66 -164.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.8 m -69.92 -9.97 56.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.508 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 3.2 mmpt? -91.35 -54.45 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 170.67 -108.57 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' O ' HG11 ' A' ' 17' ' ' VAL . 6.4 tt0 -130.12 140.14 50.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -103.83 -157.24 24.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -45.65 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.091 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -137.34 137.93 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.748 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.1 m -104.69 106.72 17.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.798 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -107.62 123.87 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.94 135.04 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -77.17 140.9 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.587 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.3 tp -151.73 132.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.6 t -99.31 120.18 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 62.2 p -37.83 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.22 -94.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.409 1.068 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.7 p -174.89 142.7 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -12.71 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 92.88 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.15 178.46 19.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 m 44.36 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -130.46 -59.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -140.38 125.5 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.04 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -81.22 168.56 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.5 106.78 2.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.91 101.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -110.06 147.67 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.18 170.02 30.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.81 38.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -162.56 168.03 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.3 155.25 24.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.93 143.86 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 48.99 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -136.64 168.82 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.58 160.37 34.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -174.72 125.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 97' ' ' LYS . 5.7 t0 -73.69 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -43.3 165.82 0.11 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 18.3 Cg_endo -74.99 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.22 -151.22 27.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 129.3 12.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 HG12 ' A' ' 91' ' ' VAL . 3.9 m -55.3 -169.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -58.63 -136.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -109.69 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.751 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.1 mm? -52.71 138.89 27.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -142.97 144.02 32.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 107' ' ' ILE . 23.0 m-85 -132.04 144.88 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 p -156.88 173.93 16.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 39.66 50.06 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.915 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.5 mt -81.09 138.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -108.75 -123.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 2.0 p-10 -114.23 -33.8 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.538 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 35.9 p -138.88 22.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 9.9 p -155.64 142.6 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.915 ' HB3' HG23 ' A' ' 29' ' ' ILE . 2.9 pp -152.07 157.5 41.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' A' ' 75' ' ' GLU . 1.2 tmtt? -93.85 126.19 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 89' ' ' ILE . 99.5 t -105.23 141.42 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.34 141.48 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.849 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -145.37 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.56 178.91 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.1 135.82 54.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.4 pt-20 -116.23 44.75 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASN . 15.8 mttp -43.4 -36.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 64.4 m-80 39.13 42.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.96 174.98 14.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 47' ' ' ILE . 20.1 mm -82.5 116.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' HB1' ' A' ' 93' ' ' ALA . 45.9 mt -63.04 124.4 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 95' ' ' THR . 66.7 p -97.02 -14.57 21.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 166.65 -165.54 38.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 74' ' ' LEU . 69.2 m-85 -141.6 144.57 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 15.2 ttp180 -109.45 124.34 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 7.2 tt -114.29 145.56 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.59 113.35 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.056 ' CE2' HG11 ' A' ' 65' ' ' VAL . 21.3 p90 -102.46 118.18 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 57' ' ' GLU . 7.4 pt-20 -133.35 142.32 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 2.9 mt-10 -46.08 172.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 45.1 t80 -48.09 -64.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.6 t-20 -129.27 65.4 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.4 mtt85 -157.53 104.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' ARG . 19.1 m -77.1 -34.87 56.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -49.27 -31.34 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -93.17 30.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -97.28 139.12 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.056 HG11 ' CE2' ' A' ' 55' ' ' TRP . 8.6 p -117.14 160.11 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -127.85 128.41 45.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.447 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.7 m-70 -142.63 158.99 43.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -132.33 131.59 42.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 8.3 mt -122.76 159.99 50.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.74 9.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' OD1' HG13 ' A' ' 72' ' ' VAL . 46.3 p-10 -86.76 19.77 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 70' ' ' PRO . 19.7 m -115.27 -22.0 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 m -106.64 140.6 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -132.58 8.37 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HB2' ' CE ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -138.0 149.89 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.668 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 20.7 t80 -160.33 149.3 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.668 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -98.46 132.06 44.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.725 HG21 HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.31 152.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 78' ' ' VAL . 54.7 p -154.27 140.15 18.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.26 -6.24 23.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.085 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD11 HG21 ' A' ' 78' ' ' VAL . 31.5 mt -57.57 -162.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.4 m -121.72 142.88 49.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -64.56 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 18.4 mt 41.57 59.85 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 108' ' ' SER . 5.8 m -138.72 148.62 44.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -87.59 130.36 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.607 ' CD2' HD22 ' A' ' 81' ' ' LEU . 25.4 m-85 -137.09 152.71 50.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.778 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -121.24 110.98 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 36' ' ' VAL . 4.4 mm -88.09 119.96 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 7.2 mt-10 -102.34 120.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 38' ' ' TRP . 73.7 t -116.57 128.8 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.817 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -136.64 158.48 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -98.97 137.37 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 32.9 mtp -110.55 131.06 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.513 ' CG2' ' HG3' ' A' ' 18' ' ' PRO . 64.0 p -120.47 -162.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.8 p -72.35 -5.79 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 16' ' ' ASP . 13.6 mmmt -94.5 -51.82 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 168.35 -110.21 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.441 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 3.7 tt0 -130.57 136.31 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -99.56 -169.97 30.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -38.96 156.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.7 p -130.04 138.55 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.752 ' HB3' HD23 ' A' ' 24' ' ' LEU . 1.7 m -102.93 101.71 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -94.2 118.09 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.01 128.36 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 130.76 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 5.2 tp -148.11 129.72 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' SER . 10.3 t -97.28 120.19 37.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -37.13 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -68.39 -90.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -176.61 142.73 0.56 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.1 Cg_endo -75.1 126.4 9.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 53.88 3.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.79 -74.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.93 160.45 13.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 178.02 7.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.4 p -161.98 144.71 11.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.5 m -111.27 109.32 19.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -110.6 170.65 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.19 129.2 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 128.24 0.98 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.46 135.81 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -174.26 -59.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.23 140.33 6.35 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.01 -60.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.55 -179.73 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -104.49 164.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -75.83 176.59 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -128.22 -167.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -57.44 179.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.0 99.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' OD2' ' CD ' ' A' ' 97' ' ' LYS . 4.5 t0 -46.25 -43.93 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.513 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.4 m -71.55 166.37 40.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.2 Cg_endo -75.05 178.45 7.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.87 -152.75 19.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' N ' ' HB3' ' A' ' 101' ' ' GLN . 18.4 Cg_endo -74.98 136.24 20.18 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 21' ' ' VAL . 2.7 m -61.0 179.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.5 -93.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -150.4 123.66 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.571 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -54.84 133.47 47.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 1.6 t -140.84 167.68 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.689 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 88.5 m-85 -152.76 159.36 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.5 m -163.24 151.34 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 61.98 51.69 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.6 mt -82.89 137.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -112.64 -123.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 14.3 p-10 -114.37 -31.56 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -141.7 16.54 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -146.52 137.16 24.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -160.09 148.33 16.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.2 tmmm? -103.63 138.35 40.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.689 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -109.53 157.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.08 127.98 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.946 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.5 p90 -128.49 -168.76 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.51 178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.86 135.41 51.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.86 38.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.73 -9.3 81.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.2 pt-20 -109.34 37.31 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ASN . 21.4 mttp -39.65 -30.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 43.2 m-80 39.71 32.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 143.33 172.49 14.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.2 mm -73.43 125.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 43.9 mt -72.88 128.37 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' MET . 36.7 p -99.07 -14.93 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.458 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 163.76 -177.27 39.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 74' ' ' LEU . 75.9 m-85 -129.41 140.5 51.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 68' ' ' TYR . 3.9 ttt180 -107.14 111.11 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 17.9 tt -101.9 143.99 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 114.13 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.846 ' CZ2' HG11 ' A' ' 65' ' ' VAL . 13.8 p90 -102.51 151.52 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 90' ' ' GLU . 1.6 pt-20 -170.98 153.55 3.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' ARG . 2.9 mt-10 -50.34 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 19.7 t80 -56.01 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 2.8 t-20 -130.02 64.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' GLU . 24.9 mtt85 -153.81 104.52 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 16.2 m -76.82 -36.01 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -51.61 -22.9 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -102.5 27.17 7.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -101.8 145.27 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 8.5 p -121.71 159.92 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.0 m -126.13 113.91 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -129.75 157.1 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 78.7 m-85 -127.9 134.9 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.5 mt -124.58 160.17 54.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.458 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.1 Cg_endo -74.98 176.23 10.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -85.66 20.4 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 m -116.64 -19.99 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -102.99 133.38 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 4.0 mt -124.24 -1.05 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -133.11 145.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CD2' HD21 ' A' ' 69' ' ' LEU . 49.3 t80 -144.66 154.36 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.529 ' CD ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -100.21 122.09 42.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.926 ' CG1' HD21 ' A' ' 81' ' ' LEU . 84.6 t -94.03 142.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.529 ' CG2' ' CD ' ' A' ' 77' ' ' ARG . 65.7 p -149.5 156.24 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.54 31.96 14.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.926 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.72 -153.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 5.3 m -130.77 152.91 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -72.27 142.41 48.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 31.9 mt 39.42 57.89 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 3.0 m -133.88 138.79 45.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.0 m -78.5 126.75 31.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.8 m-85 -131.95 147.95 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.54 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -117.18 114.29 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.785 HD12 ' HB2' ' A' ' 55' ' ' TRP . 2.3 mm -96.31 120.6 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.823 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.0 mt-10 -104.29 117.77 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.946 HG11 ' CD2' ' A' ' 38' ' ' TRP . 92.7 t -107.1 116.87 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.044 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -116.29 160.08 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.03 146.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 74.7 mtm -123.2 129.18 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.768 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 p -120.22 -166.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -19.83 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.5 mmpt? -86.22 -52.86 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 165.79 -138.32 5.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 11.6 tt0 -104.14 143.0 33.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -114.14 -156.71 11.81 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' PRO . 2.2 tt0 -43.97 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.249 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.044 HG23 ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -139.69 149.08 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.1 m -112.93 101.92 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.823 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -101.27 117.12 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 130.99 56.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 127.7 33.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 tp -143.74 127.89 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -99.47 125.24 45.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 88.2 p -39.38 152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -65.02 -88.11 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.571 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.3 p -177.81 142.01 0.46 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -75.0 126.6 10.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 114' ' ' SER . 18.4 Cg_endo -75.01 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 113' ' ' PRO . 0.9 OUTLIER 82.57 89.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.99 -146.53 18.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.97 42.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.5 p -134.06 131.36 38.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.9 t -166.05 93.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -68.98 91.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.28 -61.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.57 -108.74 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.03 162.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.85 162.19 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.34 166.12 36.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 157.46 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -108.99 -15.83 14.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.71 -178.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.07 156.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER -87.78 -70.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 12' ' ' ARG . 11.1 t 53.62 166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -46.91 135.93 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -132.68 137.56 46.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -86.81 -64.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -43.28 165.01 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.01 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.92 -151.28 21.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.9 14.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 103' ' ' SER . 2.1 m -54.86 -172.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -136.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -103.04 109.29 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.558 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.943 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -54.42 153.44 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.504 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 1.7 t -143.13 157.19 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB3' HD11 ' A' ' 29' ' ' ILE . 22.3 m-85 -139.99 124.71 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.7 m -136.31 175.49 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 42.71 49.93 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.4 mt -85.27 133.19 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -116.11 -125.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.74 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 5.2 p-10 -110.07 -27.76 9.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -148.23 21.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -148.86 131.04 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.052 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 pp -154.32 147.32 24.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -91.62 136.9 32.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.877 HG21 HG21 ' A' ' 89' ' ' ILE . 52.7 t -110.49 141.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -141.67 156.93 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.907 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.8 p90 -161.05 177.89 9.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.21 -179.05 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.17 140.36 61.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.97 37.4 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.8 61.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 12.2 mm-40 -86.33 44.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 15.4 mttt -39.22 -37.76 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 43.79 27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.646 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 140.9 -154.55 24.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.4 mp -112.31 98.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.9 139.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.591 ' N ' ' O ' ' A' ' 94' ' ' MET . 49.4 p -107.72 4.32 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 162.57 178.13 36.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD23 ' A' ' 74' ' ' LEU . 43.9 m-85 -138.93 128.03 23.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -95.92 124.09 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.5 HG13 HG22 ' A' ' 91' ' ' VAL . 2.0 tt -118.53 148.29 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.13 114.42 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.934 ' CE2' HG11 ' A' ' 65' ' ' VAL . 5.7 p90 -103.05 145.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -164.76 -179.95 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' CD ' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -76.73 174.54 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -52.89 -61.27 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 37.0 p30 -131.96 58.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -155.72 97.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 m -75.27 -11.61 60.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.53 -16.73 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 p -115.37 35.88 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.94 147.0 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.934 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.9 p -127.19 160.22 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.2 m -127.32 111.3 13.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.08 162.77 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.647 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -132.02 136.03 46.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 7.1 mt -131.33 160.46 67.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.96 175.79 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 18.2 p-10 -86.12 25.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 70' ' ' PRO . 11.6 m -120.0 -31.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 m -93.03 145.5 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.92 12.24 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.2 pt-20 -143.97 150.93 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 51.6 t80 -156.76 153.88 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 2.4 ttp85 -92.01 121.27 33.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.876 HG13 ' CD2' ' A' ' 55' ' ' TRP . 98.8 t -92.21 149.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.491 HG23 ' C ' ' A' ' 78' ' ' VAL . 25.6 p -156.42 148.99 23.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.79 24.03 10.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD21 ' CG1' ' A' ' 78' ' ' VAL . 3.3 mt -88.93 -153.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ASP . 17.8 m -136.35 143.96 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -67.91 137.74 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 10.9 mt 47.28 56.81 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.494 ' CG2' ' CD ' ' A' ' 57' ' ' GLU . 1.6 m -138.64 142.49 39.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -82.05 120.09 24.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CD2' HD22 ' A' ' 81' ' ' LEU . 11.9 m-85 -122.03 159.08 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.578 ' C ' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -125.04 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.877 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -101.16 116.94 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 122.21 44.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.943 ' HB ' HD11 ' A' ' 24' ' ' LEU . 79.1 t -118.98 117.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.063 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -118.86 153.82 33.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -94.51 167.75 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.591 ' O ' ' N ' ' A' ' 49' ' ' THR . 20.3 mtp -140.58 132.11 27.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 18' ' ' PRO . 3.1 p -122.82 -167.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.4 m -68.12 -12.0 60.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -53.11 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 171.0 -111.13 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 1.6 tt0 -130.49 140.91 50.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -103.56 -159.71 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 168.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.063 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -134.19 137.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -100.51 103.75 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ILE . . . -105.33 117.63 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.78 135.02 54.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -78.04 136.01 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 26' ' ' PHE . 2.3 tp -147.96 131.55 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 11.8 t -99.48 120.72 40.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 24.2 p -38.47 153.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -65.23 -95.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.86 141.75 0.87 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.96 127.09 10.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' SER . 18.3 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' PRO . 0.4 OUTLIER 36.59 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.5 -152.25 52.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 179.8 5.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.783 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.5 t -148.65 150.12 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -140.03 159.16 42.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -146.32 143.11 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.784 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -119.46 117.34 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -87.3 1.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.44 137.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -159.89 162.87 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 73.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 124.21 8.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -164.34 97.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -152.97 -175.25 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.6 159.75 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.97 128.84 51.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p -109.28 -167.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.72 128.73 11.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -137.38 152.21 49.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -50.75 -60.33 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' O ' ' A' ' 99' ' ' GLN . 1.3 m -50.93 165.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.86 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.3 Cg_endo -75.02 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.6 -156.04 24.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.51 24.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.9 -171.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.73 -98.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -141.32 121.54 13.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.647 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD21 ' HB ' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -56.28 134.21 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -144.12 162.59 35.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' ' HB ' ' A' ' 36' ' ' VAL . 85.1 m-85 -147.72 154.41 40.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -157.05 150.74 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.83 50.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' HB3' ' A' ' 34' ' ' LEU . 1.7 mt -82.94 136.83 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.0 mm? -115.02 -123.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' HB3' ' N ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -110.72 -31.59 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -146.1 19.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -143.82 132.66 22.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -159.11 143.76 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 1.3 tmmm? -100.9 139.32 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 ' HB ' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -112.4 160.23 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -152.86 133.36 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 1.015 ' CD2' HG11 ' A' ' 91' ' ' VAL . 39.3 p90 -134.62 175.45 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -118.79 177.14 4.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.88 131.59 63.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.03 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.42 -16.83 78.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.4 36.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' HG21 ' A' ' 95' ' ' THR . 14.1 mttt -40.08 -34.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 40.34 52.24 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.28 -156.07 16.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 47' ' ' ILE . 9.8 mm -103.65 113.97 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG2' ' A' ' 95' ' ' THR . 25.2 mt -59.37 128.47 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' MET . 38.6 p -93.94 -19.66 20.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' MET . . . 163.29 173.92 32.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.7 m-85 -120.41 149.19 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 1.3 ttp180 -111.23 122.56 48.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 12.4 tt -110.23 143.08 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -151.96 117.78 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.825 ' CB ' HD12 ' A' ' 89' ' ' ILE . 30.0 p90 -105.38 121.41 43.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -136.19 138.74 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -44.83 169.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -50.27 -62.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 46.0 t-20 -130.82 64.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -157.25 114.11 3.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.0 m -85.42 -22.65 28.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -60.31 -16.86 38.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.7 p -110.75 37.78 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -93.04 149.25 21.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG21 ' NE1' ' A' ' 55' ' ' TRP . 46.9 t -130.48 160.66 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 65' ' ' VAL . 89.0 m -139.13 113.05 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 6.6 m-70 -130.99 151.58 51.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -126.8 122.74 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -115.84 160.67 34.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 177.58 8.41 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -85.8 19.23 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 70' ' ' PRO . 6.1 m -114.35 -23.65 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -101.12 133.61 45.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.2 mt -124.6 0.8 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -132.66 146.49 51.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD2' HD21 ' A' ' 69' ' ' LEU . 63.2 t80 -144.42 154.33 42.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -100.06 109.18 21.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.83 ' CG1' HD21 ' A' ' 81' ' ' LEU . 89.8 t -81.59 141.25 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' C ' ' A' ' 78' ' ' VAL . 34.7 p -153.01 152.66 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.41 18.77 34.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.83 HD21 ' CG1' ' A' ' 78' ' ' VAL . 6.3 mt -81.67 -150.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 59.0 m -135.15 148.82 49.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -68.8 138.6 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 20.5 mt 43.33 57.07 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.6 ' CG2' ' CE1' ' A' ' 87' ' ' TYR . 1.8 m -133.83 142.8 48.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -83.85 122.9 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 25.9 m-85 -129.91 145.97 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.434 ' CG2' ' HB1' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -116.77 109.03 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' A' ' 55' ' ' TRP . 2.3 mm -87.2 119.88 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.802 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.6 mt-10 -101.24 117.38 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.8 t -110.21 114.1 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.094 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -111.14 165.18 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -117.71 151.9 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' THR . 4.0 mtp -129.31 138.89 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.86 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.9 p -121.51 -164.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.5 p -74.47 -1.7 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -107.35 -45.1 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 162.11 -159.24 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -89.7 145.85 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -116.67 -153.17 9.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' GLY . 1.7 tt0 -42.27 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.094 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -136.65 138.74 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.694 ' HB3' HD23 ' A' ' 24' ' ' LEU . 4.5 m -102.0 106.04 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.802 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -105.97 119.43 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.34 129.57 54.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 128.5 34.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.1 tp -144.76 135.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 t -105.03 122.83 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 82.4 p -38.96 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.542 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.87 -90.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.2 p -176.42 141.71 0.55 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.584 ' HG3' ' HB1' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.03 127.11 10.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.5 Cg_endo -74.93 53.83 3.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -83.67 105.76 14.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.61 169.72 45.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.49 4.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 t 61.06 159.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t 49.11 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -161.65 148.35 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -155.2 133.58 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 -163.51 38.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.67 132.26 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -108.73 148.7 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.88 -176.76 32.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 69.75 5.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 129.45 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.52 141.01 52.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.3 158.54 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 152.28 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 14' ' ' HIS . 9.8 t -166.12 -173.45 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 13' ' ' THR . 1.5 m80 -112.85 130.59 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -129.78 162.02 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -102.98 -56.83 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -43.66 165.83 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.96 178.08 7.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 -151.45 27.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.18 12.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG21 HG12 ' A' ' 91' ' ' VAL . 16.1 m -54.53 -172.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.76 -157.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -92.42 117.85 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.605 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 103' ' ' SER . 1.8 mm? -48.55 144.92 3.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -142.95 153.76 43.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' HD11 ' A' ' 29' ' ' ILE . 23.2 m-85 -139.69 141.78 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 m -152.7 162.26 41.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 47.49 53.6 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 26' ' ' PHE . 2.4 mt -84.72 136.57 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.7 mm? -113.75 -124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 18.9 p-10 -112.13 -30.6 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.6 ' C ' HD12 ' A' ' 81' ' ' LEU . 28.8 p -144.75 20.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.08 135.89 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.8 pp -158.75 148.54 19.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -92.16 138.45 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 89' ' ' ILE . 53.4 t -114.6 139.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.22 149.87 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.876 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -152.71 -179.31 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -179.1 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.261 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' ' CE ' ' A' ' 44' ' ' LYS . 1.6 mt-10 -78.23 140.44 61.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.81 -31.66 55.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' LYS . 16.6 mm-40 -87.34 42.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CE ' ' CD ' ' A' ' 40' ' ' GLU . 16.6 mttt -39.46 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 42.22 28.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 140.38 -132.14 5.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 95' ' ' THR . 12.0 mm -128.93 140.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -87.82 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -109.17 1.05 20.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 165.79 178.94 39.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.627 ' CE2' HD23 ' A' ' 74' ' ' LEU . 86.4 m-85 -138.72 126.66 22.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.563 ' NE ' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -90.86 125.12 35.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 90' ' ' GLU . 11.9 tt -116.32 147.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.82 115.11 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.955 ' CE2' HG11 ' A' ' 65' ' ' VAL . 7.6 p90 -104.36 115.82 31.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 107.963 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -132.78 143.38 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -45.39 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -46.87 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 51.2 p-10 -129.9 60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' CG ' ' C ' ' A' ' 59' ' ' ASN . 0.5 OUTLIER -157.91 99.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.9 m -77.69 -17.65 57.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.18 -24.34 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -104.5 28.22 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -93.57 138.68 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.955 HG11 ' CE2' ' A' ' 55' ' ' TRP . 11.4 p -118.01 155.98 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' NE ' ' A' ' 52' ' ' ARG . 56.8 m -124.44 105.37 9.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -113.46 164.19 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -132.65 135.95 46.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.0 160.1 69.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.444 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.99 174.75 12.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 12.4 p30 -85.42 20.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 m -116.02 -21.9 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -104.43 144.74 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -136.88 12.24 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.7 pm0 -142.76 151.13 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 65.6 t80 -158.28 153.69 25.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.611 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -96.8 127.81 43.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.825 ' CG1' HD21 ' A' ' 81' ' ' LEU . 93.4 t -99.27 147.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 78' ' ' VAL . 75.2 p -154.13 155.57 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.61 35.28 8.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.825 HD21 ' CG1' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -96.34 -141.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.2 m -139.56 150.21 44.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -74.03 141.13 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 21.2 mt 41.85 57.69 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.445 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.3 m -137.19 139.9 41.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -79.02 133.13 36.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 57' ' ' GLU . 25.5 m-85 -135.66 157.14 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HB1' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -126.46 117.27 22.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG21 HG21 ' A' ' 36' ' ' VAL . 5.1 mm -96.74 114.6 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -99.57 115.18 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.876 HG11 ' CD2' ' A' ' 38' ' ' TRP . 94.4 t -110.56 119.15 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.052 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -121.79 155.47 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -93.05 167.59 11.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' THR . 27.0 mtp -139.28 129.84 25.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -121.81 -164.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.18 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CE ' ' HB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -64.21 -53.49 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.18 -155.42 23.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.514 ' HG2' ' N ' ' A' ' 100' ' ' GLY . 3.7 tt0 -89.16 146.14 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.514 ' N ' ' HG2' ' A' ' 99' ' ' GLN . . . -104.03 -152.39 22.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.052 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -144.94 148.23 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.735 ' HB3' HD23 ' A' ' 24' ' ' LEU . 2.8 m -116.4 103.09 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB1' HG23 ' A' ' 88' ' ' THR . . . -92.19 126.0 37.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.674 ' OG ' HD12 ' A' ' 24' ' ' LEU . 1.1 p -116.42 124.13 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.97 125.51 30.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.628 ' CG2' ' CE2' ' A' ' 26' ' ' PHE . 2.5 tp -149.84 139.35 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' SER . 35.1 t -110.63 125.48 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' SER . 34.2 p -37.42 145.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -61.59 -86.28 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -177.3 142.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.2 Cg_endo -75.05 126.65 10.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.67 3.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -90.94 95.32 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.97 105.64 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 148.68 7.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -69.59 147.64 50.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 56.42 164.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.39 88.91 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -170.92 25.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -100.04 150.81 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -175.19 150.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 84.36 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.93 6.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -72.31 174.48 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.21 170.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t 64.24 126.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . 48.5 mtp180 62.54 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.247 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 12' ' ' ARG . 1.4 t -179.07 136.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.447 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 105.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -132.67 138.36 47.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -47.17 -57.69 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HE2' ' A' ' 97' ' ' LYS . 1.1 m -43.36 164.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.94 179.47 6.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.87 -152.93 28.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 129.49 12.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.693 HG21 HG12 ' A' ' 91' ' ' VAL . 13.2 m -55.07 -171.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.85 -159.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -86.97 119.11 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.6 OUTLIER -49.26 133.87 18.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -140.36 156.06 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 35.3 m-85 -147.31 146.11 29.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 p -151.95 171.68 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.58 51.02 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 110' ' ' GLY . 1.8 mt -87.74 133.39 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' GLY . 3.1 mm? -111.73 -122.62 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.4 p-10 -113.95 -31.22 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -143.38 17.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.34 128.44 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.691 ' HB3' HG23 ' A' ' 29' ' ' ILE . 3.3 pp -148.59 168.48 22.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -116.28 137.81 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG21 HG21 ' A' ' 89' ' ' ILE . 95.5 t -111.5 140.48 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.18 158.05 45.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD2' HG11 ' A' ' 91' ' ' VAL . 43.1 p90 -163.64 178.5 7.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.44 -179.32 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 mt-10 -78.99 141.01 58.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.3 Cg_endo -74.99 150.23 37.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -30.61 62.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.2 mm-40 -87.25 42.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 46' ' ' GLY . 14.1 mttt -39.65 -33.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.2 m-80 42.15 28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 44' ' ' LYS . . . 139.43 -130.11 4.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 95' ' ' THR . 11.6 mm -130.65 138.96 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.747 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -86.45 139.73 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 94' ' ' MET . 65.4 p -106.82 1.43 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 161.9 -176.76 38.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 74' ' ' LEU . 95.9 m-85 -138.36 146.02 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -109.2 124.42 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 67' ' ' HIS . 8.6 tt -118.52 146.4 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.08 138.14 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.89 ' CE2' HG11 ' A' ' 65' ' ' VAL . 11.4 p90 -131.73 117.88 19.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.0 pt-20 -133.56 64.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.0 mt-10 38.11 -161.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 13.6 t80 -90.79 -38.43 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -144.01 49.09 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB3' HG23 ' A' ' 63' ' ' THR . 9.0 mtt-85 -151.24 118.91 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.9 m -87.64 -23.56 24.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.79 -20.0 54.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 60' ' ' ARG . 19.4 p -96.34 0.3 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.93 148.51 51.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 55' ' ' TRP . 9.4 p -148.3 155.92 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.8 m -122.97 117.95 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.432 ' CD2' ' CH2' ' A' ' 55' ' ' TRP . 9.2 m-70 -127.27 158.97 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -132.34 138.69 47.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.15 160.08 68.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.452 ' C ' ' HA2' ' A' ' 50' ' ' GLY . 18.4 Cg_endo -74.97 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.1 p-10 -83.63 19.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.87 -18.14 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 m -108.51 141.53 40.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 51' ' ' TYR . 1.3 mt -131.35 7.4 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -138.63 156.66 47.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -159.75 148.35 17.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.492 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -97.54 125.71 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 55' ' ' TRP . 22.3 t -100.75 153.36 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 78' ' ' VAL . 76.7 p -151.04 158.32 43.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.84 33.52 21.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -92.93 -154.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -128.7 138.72 52.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 31' ' ' ASP . . . -65.57 143.44 57.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' N ' ' OG ' ' A' ' 109' ' ' SER . 18.5 mt 40.61 58.08 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -141.37 136.35 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 106' ' ' THR . 19.8 m -78.15 138.32 38.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 19.0 m-85 -134.25 147.39 50.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -107.92 102.31 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 36' ' ' VAL . 9.0 mm -94.24 116.24 35.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.903 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 3.3 mt-10 -103.16 120.62 41.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.833 HG11 ' CD2' ' A' ' 38' ' ' TRP . 86.3 t -111.46 118.25 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.041 ' HB2' HG23 ' A' ' 102' ' ' VAL . . . -119.13 162.8 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -104.14 168.0 9.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.541 ' HE2' ' N ' ' A' ' 51' ' ' TYR . 74.5 mtm -141.07 131.98 25.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -120.12 -166.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.2 m -80.78 5.41 15.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -114.71 -39.7 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 97' ' ' LYS . . . 161.86 -154.99 26.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' O ' HG11 ' A' ' 17' ' ' VAL . 2.0 tt0 -99.64 144.78 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.457 ' CA ' ' HB ' ' A' ' 17' ' ' VAL . . . -105.05 -152.3 21.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 ' HB2' ' A' ' 92' ' ' ALA . 1.0 OUTLIER -147.03 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.733 ' HB3' HD23 ' A' ' 24' ' ' LEU . 3.5 m -119.32 101.53 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -95.93 117.14 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.26 129.42 53.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.922 HG22 HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -76.94 127.03 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' TYR . 5.0 tp -135.34 132.45 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' SER . 27.6 t -105.41 118.34 36.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 61.3 p -36.77 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -62.52 -93.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -173.92 142.63 0.9 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.05 126.4 9.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo -75.02 168.47 24.76 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.67 -62.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.54 156.14 22.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 117' ' ' SER . 18.3 Cg_endo -74.99 166.32 29.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 116' ' ' PRO . 32.0 m 45.74 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.3 p -121.95 83.28 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -113.36 159.86 18.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -63.38 -58.17 7.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.46 -168.69 12.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 162.25 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.1 149.87 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.18 148.83 19.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.4 4.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -147.08 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 11' ' ' VAL . 1.8 pp -141.46 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.3 p -174.58 153.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 73.06 118.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -174.6 166.47 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -171.88 119.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.38 154.31 51.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.1 t70 -71.1 -56.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 m -42.59 164.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.96 -179.88 5.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.8 -148.4 21.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 127.01 10.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.726 HG21 HG12 ' A' ' 91' ' ' VAL . 8.7 m -53.59 -172.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.43 -162.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -84.34 123.34 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 103' ' ' SER . 0.8 OUTLIER -57.68 137.86 56.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -142.02 151.49 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 29' ' ' ILE . 25.1 m-85 -138.57 140.9 39.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.6 m -146.91 173.53 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 42.35 50.21 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 26' ' ' PHE . 1.9 mt -84.3 136.01 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 29' ' ' ILE . 2.7 mm? -116.5 -124.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB3' ' CA ' ' A' ' 112' ' ' PRO . 0.6 OUTLIER -106.95 -31.64 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 25.8 p -149.21 26.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -149.35 127.77 12.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 29' ' ' ILE . 4.0 pp -152.82 149.29 28.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.06 138.47 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 89' ' ' ILE . 73.9 t -113.43 133.2 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -134.51 148.5 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.831 ' CD2' HG11 ' A' ' 91' ' ' VAL . 49.0 p90 -151.45 177.33 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.86 -178.66 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -78.4 140.56 60.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLU . 18.2 Cg_endo -75.02 150.25 37.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.1 -34.41 70.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 64.4 mm-40 -87.63 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLY . 12.4 mttp -39.33 -34.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 4.2 m-80 40.86 28.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.569 ' C ' HD12 ' A' ' 47' ' ' ILE . . . 138.47 -156.0 23.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.2 mp -112.7 97.45 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -39.96 139.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 94' ' ' MET . 40.3 p -107.46 0.87 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 70' ' ' PRO . . . 167.34 176.47 38.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' HD23 ' A' ' 74' ' ' LEU . 47.1 m-85 -137.73 130.57 30.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 0.789 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -97.95 126.23 43.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 67' ' ' HIS . 5.3 tt -120.53 146.66 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.81 120.49 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 1.049 ' CE2' HG11 ' A' ' 65' ' ' VAL . 6.5 p90 -106.31 120.55 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' GLU . 8.9 pt-20 -137.69 140.34 40.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.526 ' CB ' ' CD ' ' A' ' 60' ' ' ARG . 1.5 mt-10 -46.73 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -50.2 -61.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 60' ' ' ARG . 6.4 t-20 -128.94 64.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CD ' ' CB ' ' A' ' 57' ' ' GLU . 1.1 mtp85 -156.69 117.33 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 35.2 m -88.79 -35.76 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -47.48 -36.97 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.3 p -89.33 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -103.33 139.69 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.049 HG11 ' CE2' ' A' ' 55' ' ' TRP . 7.6 p -119.4 160.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 m -131.4 98.62 4.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . 1.7 m-70 -105.28 157.19 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -131.89 121.6 24.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.66 161.36 40.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HB2' HG22 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.94 176.63 9.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 16.0 p-10 -85.68 19.19 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 70' ' ' PRO . 23.2 m -114.01 -23.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 m -101.54 143.76 31.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -136.02 10.9 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -142.65 150.17 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 57.7 t80 -157.35 153.47 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 12.5 ttp85 -95.76 126.66 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.884 HG13 ' CD2' ' A' ' 55' ' ' TRP . 50.4 t -99.21 149.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' VAL . 23.2 p -157.26 147.93 21.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.14 20.28 12.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 1.4 mt -82.72 -143.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 85' ' ' THR . 25.0 m -141.96 151.52 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 112' ' ' PRO . . . -76.0 137.13 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 14.1 mt 48.6 53.46 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.416 ' CB ' ' HB ' ' A' ' 82' ' ' THR . 4.0 m -133.93 148.95 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -89.12 125.31 34.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.3 m-85 -128.48 151.91 48.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.56 115.27 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.829 HG21 HG21 ' A' ' 36' ' ' VAL . 4.5 mm -96.14 119.52 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -102.92 115.87 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.831 HG11 ' CD2' ' A' ' 38' ' ' TRP . 71.9 t -110.09 121.19 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 1.092 ' CB ' HG23 ' A' ' 102' ' ' VAL . . . -123.17 161.89 23.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -102.64 168.3 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 21.5 mtp -138.63 128.82 25.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 18' ' ' PRO . 1.6 p -122.59 -166.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -22.03 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.53 ' HA ' ' CE ' ' A' ' 97' ' ' LYS . 2.0 mmpt? -84.47 -51.85 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' MET . . . 163.35 -137.3 4.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.18 140.67 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' GLN . . . -121.75 128.01 7.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER 38.7 -159.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 0.713 . . . . 0.0 110.284 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.092 HG23 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -177.17 146.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.76 ' HB3' HD23 ' A' ' 24' ' ' LEU . 5.0 m -110.08 103.86 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -104.39 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.16 130.79 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 136.55 38.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tp -147.34 132.66 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' SER . 1.9 t -101.54 117.9 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' LEU . 56.3 p -37.89 149.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 29' ' ' ILE . . . -63.29 -94.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG23 ' HD2' ' A' ' 112' ' ' PRO . 7.4 p -174.38 142.59 0.82 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.3 Cg_endo -74.99 126.36 9.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.32 17.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.94 89.4 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.6 -172.67 24.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.36 33.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -152.93 172.58 16.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.2 m 58.71 156.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.949 . . . . . . . . 0 0 . 1 stop_ save_