data_2daq_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 2daq _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 ' 11' ' ' TYR . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.548 0.214 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG22 ' CB ' ' A' ' 70' ' ' TYR . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.597 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG12 ' CE1' ' A' ' 49' ' ' PHE . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' A' ' 59' ' ' TYR . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' ILE . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 5.3 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' PHE . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLU . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 102' ' ' LEU . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LYS . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LYS . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ILE . 21.4 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CE1' HG12 ' A' ' 29' ' ' ILE . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 5.1 m170 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.463 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.516 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLU . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 102' ' ' LEU . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.623 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tptp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' CD2' ' A' ' 57' ' ' HIS . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.459 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 21.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.602 HG22 ' CE2' ' A' ' 53' ' ' PHE . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' LYS . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 m170 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.547 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 102' ' ' LEU . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.499 0.19 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.596 HG22 ' CE2' ' A' ' 53' ' ' PHE . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' NE2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' A' ' 37' ' ' LEU . 77.2 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.41 ' OD2' ' C ' ' A' ' 61' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.3 m170 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD12 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' CB ' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' GLU . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 102' ' ' LEU . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.536 0.207 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' LYS . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 46.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD1' HG23 ' A' ' 29' ' ' ILE . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.546 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLU . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 ' N ' HD11 ' A' ' 102' ' ' LEU . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 12.5 tttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.534 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD21 ' NE2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 11.3 m170 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 102' ' ' LEU . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.491 0.186 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 42.5 tptt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 49' ' ' PHE . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 29' ' ' ILE . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.427 ' O ' ' NE1' ' A' ' 25' ' ' TRP . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 9.9 m170 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' GLU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.461 0.172 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 tptt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 49' ' ' PHE . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 17.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' HG21 ' A' ' 29' ' ' ILE . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.447 HG21 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 102' ' ' LEU . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 ' CE2' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HG2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 27.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE2' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.8 m170 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.451 HG21 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.536 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 12' ' ' LYS . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 14.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 59' ' ' TYR . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 10.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 27.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.476 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.526 HG12 ' CE1' ' A' ' 49' ' ' PHE . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.554 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 101' ' ' GLU . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 102' ' ' LEU . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.575 0.226 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.586 HG23 ' CE2' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' SER . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' HG23 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' C ' ' HB3' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 72' ' ' GLU . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' GLU . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 102' ' ' LEU . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.449 HG12 ' CE1' ' A' ' 49' ' ' PHE . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 28.1 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.449 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 6.3 m170 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD2' HD12 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 23.4 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 6.4 ttpp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.415 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 49' ' ' PHE . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 39' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' HG21 ' A' ' 29' ' ' ILE . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.4 m170 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' A' ' 70' ' ' TYR . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.493 0.187 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.579 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 HG23 ' CD1' ' A' ' 49' ' ' PHE . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' HG23 ' A' ' 29' ' ' ILE . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 m170 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.578 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.543 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG12 ' CE1' ' A' ' 49' ' ' PHE . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.587 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m-80 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CG1' ' A' ' 39' ' ' ILE . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' CG2' HD11 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.2 m170 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' GLU . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' LYS . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 102' ' ' LEU . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.443 0.163 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' HB3' ' N ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.557 ' CD2' HG13 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.53 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' HB3' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.433 ' CG ' HG23 ' A' ' 14' ' ' ILE . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLU . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.538 0.209 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.556 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 3.3 m170 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 5' ' ' SER . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 121.21 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t 60.81 113.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.82 83.04 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' HG ' ' N ' ' A' ' 1' ' ' GLY . 3.9 t -145.1 122.68 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 158.29 11.46 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 62.72 137.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -70.39 152.72 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -123.77 141.14 52.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 18.8 m-85 -41.24 162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG22 ' CB ' ' A' ' 70' ' ' TYR . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -85.88 126.98 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.515 ' CD2' ' CG1' ' A' ' 17' ' ' VAL . 15.0 mt -112.63 -54.04 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.45 151.74 6.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 58.36 -178.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -53.13 -19.94 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.47 144.44 48.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 10.8 m95 -141.63 -174.88 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.028 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.515 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG12 ' CE1' ' A' ' 49' ' ' PHE . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' A' ' 59' ' ' TYR . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt -50.99 129.74 24.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 172.1 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -164.52 -171.66 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 2.8 m-20 -126.72 -75.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 145.58 10.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 76.81 -54.45 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 1.3 m-20 -39.67 121.9 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG2' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' ILE . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 5.3 tm-20 -111.34 -59.09 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 74' ' ' ASP . . . -79.85 61.48 4.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 1.7 m-20 157.11 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -167.87 -67.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 m 41.11 68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.65 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' O ' ' CG ' ' A' ' 79' ' ' GLU . . . -124.18 74.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 165.63 135.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.46 92.99 1.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 55.51 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.34 135.41 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.59 36.7 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.07 -69.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.9 t30 68.97 93.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -158.98 177.1 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 m -46.87 -40.15 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' PHE . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLU . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 102' ' ' LEU . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -29.53 69.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . -97.79 70.35 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -144.7 147.82 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.09 156.25 6.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.0 8.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t -160.79 94.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.3 m 62.91 152.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.27 121.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -132.2 85.85 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 126.91 1.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -79.75 133.48 36.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.786 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 164.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.93 166.45 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -44.98 119.96 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -41.26 145.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -96.37 143.81 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LYS . 26.7 m-85 -50.99 171.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -80.9 99.5 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -62.13 -173.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.89 -70.36 1.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -71.24 60.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 37.23 85.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -149.23 154.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 -116.48 125.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' SG ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ILE . 21.4 mt -42.66 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -92.6 129.75 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' CE3' ' A' ' 61' ' ' TRP . 7.4 p-80 -143.62 179.55 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -123.65 163.42 21.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mt -52.33 126.52 19.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -75.15 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.07 152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CE1' HG12 ' A' ' 29' ' ' ILE . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 5.1 m170 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.463 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -97.85 67.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.94 -132.57 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 58.52 164.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.83 61.27 6.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.0 p -64.76 174.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -116.56 67.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLU . . . -171.93 -62.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ALA . 5.2 mt-10 43.09 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 88.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -98.32 157.69 16.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -55.92 121.81 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -147.96 -59.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.5 mp 65.95 85.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -164.15 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -96.88 168.43 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.8 m -77.28 -47.73 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.516 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLU . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 102' ' ' LEU . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -41.76 78.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -93.2 72.42 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -167.51 102.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 77.97 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m 64.34 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.4 m 61.68 82.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.102 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -156.61 91.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.91 161.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.65 -128.31 8.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.8 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -132.85 -60.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.75 87.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 135.4 46.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -77.65 -174.74 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -156.99 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.615 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 -151.85 170.16 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' NZ ' ' A' ' 75' ' ' LYS . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.623 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tptp -88.53 129.96 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 17' ' ' VAL . 13.8 mt -128.24 -160.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.75 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -147.3 -55.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -122.89 -66.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.01 173.75 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 -52.97 158.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 108.002 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt -43.82 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.76 136.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -167.03 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -59.03 153.12 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.47 -68.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.58 -68.11 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.79 117.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' CD2' ' A' ' 57' ' ' HIS . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 9' ' ' LEU . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -110.26 101.0 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.28 57.67 1.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -174.3 92.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' NZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER 168.46 158.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.43 78.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -173.96 78.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.38 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.88 110.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.99 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.38 160.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 t -165.52 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.09 165.19 15.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.49 -65.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.9 94.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -82.55 -38.87 23.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.459 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -59.42 -31.6 69.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -48.47 -65.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.77 136.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.38 97.44 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -123.2 153.34 40.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.84 146.31 29.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -142.08 104.03 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.66 -58.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.62 71.48 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -132.32 109.4 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -114.71 113.98 25.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 164.1 -118.54 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 39.5 mttt -40.52 131.07 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 mt -68.22 139.66 56.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -105.26 136.04 45.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 21.2 m-85 -42.7 166.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG22 ' CE2' ' A' ' 53' ' ' PHE . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -99.39 117.01 32.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 17' ' ' VAL . 12.6 mt -106.15 -58.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 -168.47 12.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -55.46 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.48 170.16 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.6 116.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 -112.83 175.61 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt -53.61 140.23 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -84.99 103.59 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.664 ' CD2' ' CE3' ' A' ' 61' ' ' TRP . 5.0 p-80 -115.83 177.87 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.2 162.6 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -43.51 154.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.42 -72.65 2.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 m170 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.547 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.664 ' CE3' ' CD2' ' A' ' 44' ' ' HIS . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' CG2' HD11 ' A' ' 9' ' ' LEU . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -117.07 81.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.55 90.75 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 179.2 96.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.99 71.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.2 p -64.71 122.56 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -104.64 60.24 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -178.83 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -150.74 155.19 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.58 171.62 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.93 112.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.9 p -109.28 -44.4 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.85 147.48 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 mp 65.63 136.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.16 -57.16 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.78 157.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.8 m -87.96 -46.67 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 102' ' ' LEU . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -31.43 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -61.77 -67.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.78 -49.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.69 152.84 15.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.09 5.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.46 91.92 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.96 128.34 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.62 83.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 153.16 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.43 -140.55 11.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -162.29 -58.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 111.76 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.55 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 57.64 36.95 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 7.0 mt 59.05 111.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 148.31 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -52.73 173.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.596 HG22 ' CE2' ' A' ' 53' ' ' PHE . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.28 121.81 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 25' ' ' TRP . 7.6 mt -129.27 -65.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 96.83 -165.9 23.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.3 -66.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -104.22 -63.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 -176.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -79.79 166.69 21.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' NE2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' A' ' 37' ' ' LEU . 77.2 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.2 mt -46.74 158.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -94.33 168.01 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 42.1 p-80 -169.17 -172.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.6 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.77 -177.45 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -39.65 -31.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' ASP . . . -112.01 -123.7 4.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 61.51 138.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.3 m170 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -102.2 61.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 -121.94 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 71.26 -64.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -173.16 68.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 t -46.9 101.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -118.23 80.77 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -179.34 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.57 172.6 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.64 48.15 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -178.77 93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 65.9 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.78 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 pp -118.11 -172.88 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -168.6 91.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -136.06 -172.05 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -95.18 -44.98 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD12 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' CB ' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' GLU . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 102' ' ' LEU . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -38.27 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -46.22 -69.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.48 112.09 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.76 -173.19 23.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.411 1.07 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.63 29.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.1 t -83.77 -57.36 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.1 p -144.11 115.88 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 61.81 155.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -168.68 -58.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -137.01 7.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.78 106.88 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -127.68 161.25 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 148.68 7.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -45.86 120.81 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 67' ' ' VAL . 1.1 mp -44.96 148.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -102.19 151.29 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 -56.15 173.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt -86.75 124.6 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD22 ' CG1' ' A' ' 17' ' ' VAL . 7.8 mt -106.44 -76.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.57 -74.87 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 173.42 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.74 36.31 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.81 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 65.33 170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' LYS . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 46.0 mt -51.07 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.71 121.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -125.41 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.4 168.35 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -65.91 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -39.33 -81.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.28 142.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD1' HG23 ' A' ' 29' ' ' ILE . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.546 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' CG2' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -113.78 47.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -147.89 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.7 t0 -40.25 99.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -94.97 -179.04 4.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t 67.5 73.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 26.9 p90 -136.04 -47.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 77' ' ' PHE . . . -150.91 -63.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 mt-10 39.68 50.89 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 41.43 -162.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 83' ' ' SER . 1.2 tt0 -178.91 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.741 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 t 43.31 27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' CG1' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -171.61 57.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 83' ' ' SER . 23.8 mt -153.2 101.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.72 96.83 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.64 -172.59 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -39.35 84.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLU . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 ' N ' HD11 ' A' ' 102' ' ' LEU . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.43 72.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -96.04 79.55 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.64 94.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.81 157.38 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.77 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.2 87.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -59.8 122.43 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -125.02 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -78.13 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.57 62.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -82.05 104.95 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 84.6 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.07 -155.67 52.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -117.7 73.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 4.7 mt 59.96 177.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 15.0 m-70 -169.47 147.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 -44.84 166.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 12.5 tttt -95.4 125.34 39.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 17' ' ' VAL . 12.2 mt -125.84 -66.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.88 -45.5 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -91.04 153.91 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 39.42 50.34 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 52.92 179.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 -66.53 177.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.534 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD21 ' NE2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt -49.31 -63.67 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 63.61 136.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASP . 14.8 t60 -176.72 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 39.08 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.8 mt 65.47 53.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 -31.43 8.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -89.44 140.79 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 11.3 m170 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 -130.03 84.44 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.06 56.31 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.86 -53.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.19 115.14 6.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.16 83.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.23 81.77 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.53 77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -159.52 158.22 31.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.23 -151.66 22.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.35 137.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -40.97 -42.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.92 -63.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt 68.95 -67.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.78 -55.03 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 149.22 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -94.98 -52.62 4.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.534 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 102' ' ' LEU . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.48 76.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -94.9 69.93 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.9 t -114.41 -66.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 153.0 42.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.08 33.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -175.67 140.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.88 126.94 44.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -167.7 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -82.39 162.82 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.68 -83.9 1.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -141.2 120.69 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -174.21 162.53 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.33 150.06 5.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 128.71 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.2 mp -40.33 145.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -98.46 144.55 27.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 -50.84 176.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 42.5 tptt -95.9 119.44 34.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' HG13 ' A' ' 17' ' ' VAL . 5.5 mt -113.19 177.45 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.8 139.78 37.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.74 153.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 26.1 p90 -42.02 118.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 3.4 ttm-85 168.62 165.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 -158.67 136.13 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 49' ' ' PHE . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.0 mt -47.87 121.68 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 143.36 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.68 -170.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.49 163.87 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLY . 29.7 tp -60.35 -64.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -37.28 -62.69 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' GLY . 4.9 m-20 -39.25 132.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 29' ' ' ILE . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.427 ' O ' ' NE1' ' A' ' 25' ' ' TRP . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 9.9 m170 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -119.55 -70.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.54 71.79 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.27 95.7 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 51.58 -178.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 p -168.43 103.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.82 -141.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.91 62.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.34 76.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.97 -166.19 30.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.93 138.38 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 t -73.54 164.08 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t -149.44 -67.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -172.07 126.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 24.2 t-20 76.73 -65.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 60.43 109.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.7 m -94.37 -52.25 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' GLU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -63.27 -46.84 84.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -45.07 -51.92 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.15 96.52 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.74 -172.25 31.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.37 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.58 110.57 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -132.58 90.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -92.74 139.55 30.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.79 -58.82 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.92 139.63 9.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -155.64 136.66 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 66.57 145.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.26 -128.19 4.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 27.8 mttp 54.11 73.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 67' ' ' VAL . 3.1 mt 62.32 132.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 13' ' ' GLN . 18.1 p80 -97.84 150.54 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 -55.66 175.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -81.9 124.42 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD2' HG11 ' A' ' 17' ' ' VAL . 18.5 mt -120.18 -62.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.24 161.69 28.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.43 145.29 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 43.81 56.39 4.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 179.49 125.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CD1' ' C ' ' A' ' 23' ' ' ARG . 7.5 m95 -141.18 154.36 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 49' ' ' PHE . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 17.9 mt -50.72 122.92 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -90.39 124.31 34.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -152.94 177.65 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.33 178.45 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 8.3 mt -70.37 -69.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.18 -62.11 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.37 121.86 1.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' HG21 ' A' ' 29' ' ' ILE . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' NE2' ' HD3' ' A' ' 8' ' ' LYS . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 -122.71 -72.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.22 90.83 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.02 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -139.57 151.67 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.07 157.4 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.42 -49.42 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.54 -61.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -136.34 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.34 -153.05 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 154.32 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.7 p 37.31 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 m -90.99 -58.53 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 tp -172.96 147.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -92.95 94.33 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -145.93 176.92 9.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.447 HG21 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m -49.39 -44.98 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.433 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 102' ' ' LEU . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.21 66.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -99.01 71.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -68.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.43 3.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.3 40.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.08 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.074 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 p -160.87 127.66 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.57 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -58.91 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.84 145.55 9.93 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m 67.99 125.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -62.77 150.39 41.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -74.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -95.69 33.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 67' ' ' VAL . 6.2 mt 56.43 -174.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.11 154.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 -52.29 168.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 ' CE2' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HG2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -103.91 121.7 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.09 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.65 -76.09 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -60.02 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -88.22 141.62 28.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 19.1 mtt85 -38.83 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 -149.9 148.65 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 27.6 mt -49.31 129.34 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 149.76 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.85 -167.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.13 -173.32 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.89 177.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.24 -66.11 0.23 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.7 m-20 -41.42 114.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE2' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.8 m170 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 9' ' ' LEU . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 -111.47 95.79 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 82.98 1.01 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -49.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -50.54 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m 53.52 82.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -175.25 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.43 79.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -125.09 -60.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.2 125.43 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.64 -67.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.3 p -136.91 81.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -80.56 90.65 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 6.0 mt -128.63 97.51 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 4.1 t-20 81.4 -54.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 123.99 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.451 HG21 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m -74.1 -47.23 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.37 67.44 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -155.65 150.69 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.59 -86.35 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 99.66 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.26 147.83 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.948 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.5 t -68.18 -56.19 9.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.76 95.66 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 106.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 127.3 2.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -107.68 109.91 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.93 113.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.43 -146.93 16.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -53.26 120.71 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.5 mt -59.38 137.54 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -99.28 154.67 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 -56.48 176.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 12' ' ' LYS . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 14.4 tttt -102.8 120.63 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 mt -104.8 -63.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 -173.56 26.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.39 123.63 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 43.43 72.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -169.79 85.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 -106.1 140.82 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 59' ' ' TYR . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt -53.29 133.17 39.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 138.31 32.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' NE2' ' CZ3' ' A' ' 61' ' ' TRP . 33.2 p-80 -162.65 -177.87 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.74 172.24 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.18 89.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.18 -75.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.51 167.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.96 -65.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.29 69.71 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.69 -66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 t -89.39 163.97 15.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -38.5 -74.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 77' ' ' PHE . . . 86.11 135.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 9.5 mt-10 -34.11 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -51.75 -71.79 0.61 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.55 112.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -94.62 141.74 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.61 152.7 23.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -48.93 -30.74 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -157.97 144.39 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -170.68 150.3 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m -75.53 -41.08 55.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -34.61 19.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -55.29 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -74.56 95.06 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.32 -175.09 21.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.04 26.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.5 m -94.02 127.29 39.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 t -96.51 -58.41 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.55 121.24 41.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 153.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 -135.9 7.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -95.41 106.96 19.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -121.0 145.83 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.67 -100.22 2.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -106.47 135.48 47.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.2 mt -42.5 128.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -80.74 -174.4 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.669 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 -86.31 172.84 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.543 ' CE2' ' CD2' ' A' ' 77' ' ' PHE . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 10.3 ttpt -88.9 120.98 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD2' HG11 ' A' ' 17' ' ' VAL . 15.5 mt -122.7 -75.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 110.29 169.65 19.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 70.11 -61.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -113.02 53.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.66 178.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 -79.62 178.13 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 61' ' ' TRP . 27.5 mt -49.52 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 65.25 114.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 45' ' ' ASP . 4.1 t60 -93.65 -61.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -165.04 -68.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -164.91 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -38.43 -59.69 1.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -39.52 132.79 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -111.06 -58.49 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.95 90.57 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.15 -53.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.48 165.88 29.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.8 p -119.49 155.44 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.543 ' CD2' ' CE2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -103.37 -49.7 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLU . . . -145.75 -65.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' ALA . 10.4 mt-10 38.83 74.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.65 172.39 42.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 139.93 31.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -121.01 151.74 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.9 130.75 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 47.89 -174.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -49.97 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tptm 72.07 122.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -53.85 -40.6 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -49.25 62.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 105' ' ' SER . . . -44.8 -66.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER 80.43 159.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 121.75 6.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.24 132.46 55.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.5 p -104.57 87.29 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -46.11 110.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m 63.03 127.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.95 -135.31 7.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -152.25 165.96 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.24 165.43 18.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.28 -137.59 4.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -96.67 32.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.5 mt 63.52 -175.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -172.42 -88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 -155.03 166.0 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt -91.44 124.99 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 17' ' ' VAL . 11.6 mt -105.51 60.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 -71.02 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' LEU . 3.1 m-20 179.43 77.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.0 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 54.98 106.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 -64.57 144.65 57.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.526 HG12 ' CE1' ' A' ' 49' ' ' PHE . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt -53.13 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.67 143.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -149.14 -149.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 167.09 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 161.39 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.89 -61.06 4.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 -45.46 143.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -118.88 -59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.38 87.11 0.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -175.46 130.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.66 168.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.49 141.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 92.5 m-85 -120.79 -49.76 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 79' ' ' GLU . . . 169.08 134.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 78' ' ' ALA . 9.5 mt-10 -33.67 114.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.97 135.22 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' CG2' ' A' ' 82' ' ' THR . 18.1 mt-30 -128.1 89.2 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 81' ' ' GLN . 11.4 t 45.34 -167.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -117.57 85.52 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.9 mt -139.47 131.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -45.56 148.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -174.79 148.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m -62.27 -48.78 78.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.554 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 101' ' ' GLU . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 102' ' ' LEU . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.67 54.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -52.86 -59.12 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 t 65.25 132.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.44 159.98 23.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.79 25.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m 60.89 156.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m -85.94 92.41 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.34 82.45 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.75 145.72 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -166.25 13.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -167.51 127.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -145.82 97.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 -154.4 25.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -41.28 125.9 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 67' ' ' VAL . 1.1 mt -69.34 173.68 5.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.79 150.55 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 -51.73 171.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG23 ' CE2' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -97.22 122.2 39.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -119.74 92.05 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.25 -114.64 4.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.75 99.84 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -178.89 -64.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 166.35 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -109.87 164.05 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' SER . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt -67.22 136.86 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.59 122.87 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -101.02 -165.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -113.27 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -164.2 97.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 130.89 -65.06 0.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.32 137.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' HG23 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' C ' ' HB3' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' CG2' HD12 ' A' ' 9' ' ' LEU . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 72' ' ' GLU . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 -117.91 76.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 162.55 -59.94 0.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 113.04 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.68 120.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 51.9 p90 -169.48 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HB2' ' CD2' ' A' ' 77' ' ' PHE . . . -156.64 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -126.03 -72.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.02 -145.62 5.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' NE2' ' HZ3' ' A' ' 89' ' ' LYS . 28.7 tt0 -144.79 114.6 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . 11.5 t -107.16 67.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t 66.28 -72.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' THR . 43.2 mm -41.11 137.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.6 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.77 134.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -63.72 -48.64 76.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HZ3' ' NE2' ' A' ' 81' ' ' GLN . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 101' ' ' GLU . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 102' ' ' LEU . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -33.33 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -96.07 69.3 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m 65.25 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.034 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.03 28.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.8 p 45.97 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.57 158.18 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -103.17 169.94 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 140.88 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 -87.7 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 167.74 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.21 133.06 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 63.58 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.44 111.13 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 mp -47.35 147.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.15 148.06 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 -48.24 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.77 120.74 33.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 17' ' ' VAL . 1.3 mt -112.91 -75.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -168.76 19.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -56.77 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -122.45 84.35 2.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.5 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -91.7 164.2 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 28.1 mt -49.8 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.81 136.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -140.74 -66.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -170.76 166.15 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -48.37 -70.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.56 -78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.73 121.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.449 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 6.3 m170 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -129.88 121.04 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASP . . . 90.52 -67.33 2.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' GLY . 3.3 t70 -39.92 -45.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 119.89 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 98.29 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -177.41 -51.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.29 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -39.25 144.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.76 -154.37 25.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 60.32 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 t -140.59 138.95 34.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.55 172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mp 60.74 106.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -69.47 139.47 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -132.16 131.32 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 m -44.52 -48.98 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CD2' HD12 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -34.79 51.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 101' ' ' GLU . . . -53.03 -66.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 1.9 t 84.46 -64.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.8 -173.77 19.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.07 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.18 88.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 124.2 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 111.02 179.98 . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 179.74 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.11 163.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.45 137.28 9.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -150.84 111.75 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.93 164.39 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.8 59.82 3.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -120.54 117.56 27.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.2 mt -72.2 138.47 47.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -109.31 156.58 19.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 23.4 m-85 -55.51 172.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 6.4 ttpp -93.39 124.19 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD2' HG12 ' A' ' 17' ' ' VAL . 19.2 mt -117.74 90.23 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 -105.32 2.88 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -124.55 -62.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 30.9 p90 -95.85 179.08 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' TYR . 4.3 mtp180 61.13 140.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.415 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 -133.96 160.36 37.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 39' ' ' ILE . 25.0 mt -45.06 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -100.53 127.81 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.576 ' CD2' ' CZ3' ' A' ' 61' ' ' TRP . 2.5 p-80 -146.88 174.5 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -132.81 168.03 19.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.57 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.86 -79.0 1.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.91 147.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' HG21 ' A' ' 29' ' ' ILE . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.4 m170 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.576 ' CZ3' ' CD2' ' A' ' 44' ' ' HIS . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 126.82 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.91 90.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.96 92.55 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 51.81 56.1 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.62 162.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -98.15 -51.88 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.1 -55.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 110.14 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.56 170.99 17.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 39.01 72.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.44 HG23 ' CE ' ' A' ' 89' ' ' LYS . 1.6 t -168.38 154.44 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.72 145.6 52.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 pp -101.52 132.7 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -165.02 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 157.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -59.71 -44.85 93.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' A' ' 70' ' ' TYR . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' ALA . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -54.05 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -98.33 77.8 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 t -129.99 -60.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.24 145.83 8.75 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.97 4.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -118.37 107.88 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.9 t -148.6 128.72 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.37 -59.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.03 158.6 30.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.03 138.95 5.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.59 97.9 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -160.26 155.2 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 83.83 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -110.29 30.77 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 10.7 mt 68.54 163.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.4 p80 -166.32 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 -158.18 163.26 37.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.579 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.4 125.32 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' ' CG1' ' A' ' 17' ' ' VAL . 15.3 mt -112.81 -170.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.45 116.89 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.17 -177.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 50.03 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -66.44 170.17 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 -85.11 -178.22 6.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt -56.19 123.38 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -80.97 153.31 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -137.12 -165.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 70.3 m-20 -125.51 -67.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.45 139.93 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 77.84 -53.24 3.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.3 m-20 -39.3 119.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' HG23 ' A' ' 29' ' ' ILE . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 m170 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.578 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -116.22 70.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.69 70.9 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -177.16 131.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.85 60.4 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -87.33 103.78 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.48 -65.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.58 63.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -144.4 144.75 31.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.28 -141.55 8.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.47 149.93 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.1 p -76.37 153.88 35.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.81 126.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 48.65 -175.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -122.54 147.57 46.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.28 132.55 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -39.23 -50.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.543 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.48 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 100' ' ' GLN . . . -45.81 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t 42.65 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.57 175.38 13.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.39 40.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m 47.81 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.0 t -82.35 138.25 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 141.62 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -131.4 144.76 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 88.63 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.23 129.13 15.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.064 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -123.1 -59.58 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 -97.05 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -55.49 117.34 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.3 mp -53.93 151.17 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -111.72 142.78 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 47.8 m-85 -45.26 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -97.37 122.98 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD23 ' CG1' ' A' ' 17' ' ' VAL . 6.9 mt -96.12 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.49 -76.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.68 -172.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.28 53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -104.88 -50.01 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 63.9 133.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.587 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m-80 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CG1' ' A' ' 39' ' ' ILE . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' CG2' HD11 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt -55.61 133.52 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -95.04 141.21 28.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.81 -172.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.627 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.07 173.02 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -62.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.2 -74.18 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.55 123.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.2 m170 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 -120.56 140.27 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.45 90.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' SER . 2.7 t0 -156.15 99.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 mttp 66.33 -74.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -144.46 144.51 31.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 78' ' ' ALA . 32.3 p90 -64.15 -30.71 71.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . . . -168.2 62.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 67.12 -67.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . 127.71 117.92 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.09 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.63 159.85 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -152.66 134.71 14.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.54 86.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 85' ' ' ASN . 42.7 mm 64.09 -97.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' N ' HG23 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -143.72 -51.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 -177.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -95.35 -44.22 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' GLU . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' LYS . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 102' ' ' LEU . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -50.37 74.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.05 77.97 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 m -156.13 175.83 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.25 74.22 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -51.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 p -59.92 152.63 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -170.07 165.46 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.41 162.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.21 84.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m 53.28 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -124.19 162.36 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.51 -85.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 161.32 21.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -77.3 -171.96 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 17.5 m-70 -169.16 170.66 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 -60.57 162.23 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 108' ' ' SER . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.95 110.01 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 25' ' ' TRP . 1.1 mm? -70.71 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.81 -68.08 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -158.86 64.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.79 62.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? 62.66 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.16 169.45 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 107.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 9' ' ' LEU . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt -51.1 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 3.1 mttt 64.02 158.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.37 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 61' ' ' TRP . 86.1 m-70 -159.87 -79.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -159.45 174.1 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 126.18 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 129.76 -92.37 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -32.94 129.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.557 ' CD2' HG13 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' HB3' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.433 ' CG ' HG23 ' A' ' 14' ' ' ILE . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 -121.01 110.65 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.31 79.24 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.2 91.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 40.58 56.81 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -156.58 132.05 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 76' ' ' SER . 8.0 m-85 -167.54 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -166.26 -65.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 41.5 70.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.26 -62.54 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' THR . 1.1 mt-30 70.69 -179.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 81' ' ' GLN . 82.7 p 37.02 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -142.64 109.23 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.39 -66.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -86.57 163.99 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 53.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m -94.67 -47.14 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLU . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -50.95 71.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.38 -57.19 4.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -178.46 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.89 153.15 29.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -69.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.573 1.828 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.437 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 39.3 t -45.19 139.32 3.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.8 t -168.33 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -47.26 152.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.82 133.26 11.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 90.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -93.45 101.74 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 86.23 1.43 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -116.59 34.74 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 6.7 mt 62.53 118.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.1 144.21 41.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 -39.74 160.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt -95.32 128.27 42.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' CD2' ' CG1' ' A' ' 17' ' ' VAL . 13.6 mt -110.06 63.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.08 -99.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 10.0 p-10 -123.17 88.69 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 177.7 172.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 137.33 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 -65.97 148.65 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.556 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt -40.93 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 141.41 50.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -164.06 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -163.15 160.05 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -40.46 -66.21 0.87 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -40.05 138.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 3.3 m170 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -113.62 94.15 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.78 101.4 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -166.25 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -162.39 172.55 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 p -51.77 135.06 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -87.52 -50.06 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.34 102.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -140.23 132.13 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.17 -134.77 8.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -66.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -130.15 61.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.76 89.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.26 151.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -120.64 103.08 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.52 176.0 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -49.2 -48.22 45.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -50.87 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.9 -55.22 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.39 -59.69 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.82 145.09 40.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.66 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -128.98 131.14 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 -59.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' HG22 ' A' ' 29' ' ' ILE . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.548 0.214 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.778 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.664 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.475 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.528 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.523 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.779 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 72' ' ' GLU . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 71' ' ' VAL . 5.3 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.445 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 40.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' LYS . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.779 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' ILE . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HG2' HG13 ' A' ' 15' ' ' VAL . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.081 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.609 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.922 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 HD12 HG23 ' A' ' 39' ' ' ILE . 21.4 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CE1' HG12 ' A' ' 29' ' ' ILE . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 29' ' ' ILE . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.081 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.9 m-70 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 62.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.751 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 89' ' ' LYS . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HB3' HD11 ' A' ' 14' ' ' ILE . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' ' 12' ' ' LYS . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.168 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tptp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.792 ' O ' HG12 ' A' ' 17' ' ' VAL . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.768 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 11' ' ' TYR . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 37' ' ' LEU . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 HG12 ' A' ' 29' ' ' ILE . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.168 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.474 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 27.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.652 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 89' ' ' LYS . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.999 ' O ' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.664 ' HA ' HG22 ' A' ' 29' ' ' ILE . 21.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 25' ' ' TRP . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.849 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 14' ' ' ILE . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 35' ' ' VAL . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 37' ' ' LEU . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 29' ' ' ILE . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.795 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.3 m-70 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' HB3' HG21 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 72' ' ' GLU . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.683 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 18.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.682 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 88' ' ' PHE . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.589 ' HB3' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 29' ' ' ILE . 36.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.499 0.19 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.856 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.862 HG12 ' O ' ' A' ' 25' ' ' TRP . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.862 ' O ' HG12 ' A' ' 17' ' ' VAL . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.856 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.763 ' HA ' HG12 ' A' ' 51' ' ' VAL . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 42' ' ' LEU . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 37' ' ' LEU . 31.8 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 24.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.41 ' OD2' ' C ' ' A' ' 61' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' HD1' HG13 ' A' ' 51' ' ' VAL . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 29' ' ' ILE . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' A' ' 57' ' ' HIS . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.436 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.058 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.058 HD11 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 14' ' ' ILE . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.536 0.207 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.842 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' A' ' 37' ' ' LEU . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 46.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.43 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 2.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.092 ' CE2' HD11 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.092 HD11 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' A' ' 14' ' ' ILE . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 69' ' ' PRO . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 12.5 tttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.788 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.676 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.637 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.052 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 m-70 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.471 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.6 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.967 ' CD2' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.491 0.186 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.833 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.009 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 42.5 tptt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.734 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.833 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.642 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' CG2' ' A' ' 39' ' ' ILE . 10.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 29' ' ' ILE . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.009 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 72' ' ' GLU . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.501 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.866 ' O ' HD22 ' A' ' 102' ' ' LEU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.461 0.172 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 tptt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.729 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.862 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.517 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 32' ' ' PRO . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' HD13 ' A' ' 37' ' ' LEU . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 39' ' ' ILE . 17.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.65 HG22 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.978 ' CE2' HD11 ' A' ' 92' ' ' LEU . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.978 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 14' ' ' ILE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.759 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 14' ' ' ILE . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 11' ' ' TYR . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.638 HG23 HD12 ' A' ' 42' ' ' LEU . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HG23 ' A' ' 39' ' ' ILE . 27.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' TYR . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.843 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.616 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 m-70 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.686 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 92' ' ' LEU . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.536 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 102' ' ' LEU . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.098 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 14.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.818 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.758 ' HB2' HD13 ' A' ' 14' ' ' ILE . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' TYR . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.552 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 HG12 ' A' ' 29' ' ' ILE . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.098 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 72' ' ' GLU . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.936 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD11 ' HE2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.16 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 10.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.802 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.734 ' HB2' HD13 ' A' ' 14' ' ' ILE . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 39' ' ' ILE . 27.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 29' ' ' ILE . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.16 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 61' ' ' TRP . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.492 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.943 ' CE2' HD11 ' A' ' 92' ' ' LEU . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 14' ' ' ILE . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.811 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.678 ' HA ' HG12 ' A' ' 51' ' ' VAL . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.62 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 72' ' ' GLU . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.845 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.845 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.508 ' CB ' HD11 ' A' ' 14' ' ' ILE . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.575 0.226 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.918 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.829 ' O ' HG12 ' A' ' 17' ' ' VAL . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.918 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.843 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 50' ' ' PRO . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 29' ' ' ILE . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.955 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.453 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.573 HG22 ' CH2' ' A' ' 25' ' ' TRP . 3.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.875 HD11 ' CE2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 14' ' ' ILE . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.897 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.72 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 59' ' ' TYR . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 42' ' ' LEU . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 37' ' ' LEU . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD12 HG23 ' A' ' 39' ' ' ILE . 28.1 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 29' ' ' ILE . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.617 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.2 m-70 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' HB3' HG21 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.881 ' CE2' HD11 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.881 HD11 ' CE2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 14' ' ' ILE . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HA ' HG22 ' A' ' 29' ' ' ILE . 23.4 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 6.4 ttpp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CZ2' HG22 ' A' ' 87' ' ' THR . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HB2' HD13 ' A' ' 14' ' ' ILE . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 39' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.889 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 m-70 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.618 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 3.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.662 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 14' ' ' ILE . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.493 0.187 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.863 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.518 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.2 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.6 m-70 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.578 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.889 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.889 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.595 ' CB ' HD11 ' A' ' 14' ' ' ILE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.712 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.737 ' CE2' ' ND2' ' A' ' 31' ' ' ASN . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' CZ2' HG22 ' A' ' 87' ' ' THR . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.704 ' HB2' HD13 ' A' ' 14' ' ' ILE . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' TYR . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.737 ' ND2' ' CE2' ' A' ' 11' ' ' TYR . 2.5 m120 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 37' ' ' LEU . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.68 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m-70 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 1.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.935 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.54 ' CB ' HD11 ' A' ' 14' ' ' ILE . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' LYS . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.443 0.163 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.94 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HB3' HG12 ' A' ' 17' ' ' VAL . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.94 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.837 ' HA ' HG12 ' A' ' 51' ' ' VAL . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 50' ' ' PRO . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HD1' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 29' ' ' ILE . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.66 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB3' HG21 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 72' ' ' GLU . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.715 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.66 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 88' ' ' PHE . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.8 ' HB3' HD11 ' A' ' 14' ' ' ILE . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.538 0.209 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 102' ' ' LEU . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' HB2' ' A' ' 28' ' ' GLU . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.923 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.599 ' HA ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HG ' ' C ' ' A' ' 50' ' ' PRO . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 29' ' ' ILE . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.5 m-70 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' PRO . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.921 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.921 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.605 ' HB3' HD11 ' A' ' 14' ' ' ILE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 121.21 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t 60.81 113.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.82 83.04 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -145.1 122.68 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 158.29 11.46 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 62.72 137.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.646 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -70.39 152.72 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -123.77 141.14 52.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' HG22 ' A' ' 29' ' ' ILE . 18.8 m-85 -41.24 162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.778 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG11 ' CD2' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.765 ' CG1' HD21 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.0 ttmm -85.88 126.98 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD21 ' CG1' ' A' ' 17' ' ' VAL . 15.0 mt -112.63 -54.04 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.45 151.74 6.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 58.36 -178.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -53.13 -19.94 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.47 144.44 48.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 10.8 m95 -141.63 -174.88 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.028 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.475 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.528 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt -50.99 129.74 24.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 172.1 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -164.52 -171.66 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 2.8 m-20 -126.72 -75.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 145.58 10.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 76.81 -54.45 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 1.3 m-20 -39.67 121.9 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.646 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.779 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.535 ' HB2' HD12 ' A' ' 9' ' ' LEU . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 72' ' ' GLU . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 71' ' ' VAL . 5.3 tm-20 -111.34 -59.09 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 74' ' ' ASP . . . -79.85 61.48 4.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 1.7 m-20 157.11 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -167.87 -67.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 m 41.11 68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.65 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' O ' ' CG ' ' A' ' 79' ' ' GLU . . . -124.18 74.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 165.63 135.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.46 92.99 1.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 55.51 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.34 135.41 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.59 36.7 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.07 -69.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.9 t30 68.97 93.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -158.98 177.1 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.445 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 40.5 m -46.87 -40.15 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.438 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' LYS . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.779 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' ILE . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -29.53 69.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . -97.79 70.35 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -144.7 147.82 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.09 156.25 6.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.0 8.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t -160.79 94.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.3 m 62.91 152.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.27 121.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -132.2 85.85 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 126.91 1.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -79.75 133.48 36.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.786 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 164.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.93 166.45 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -44.98 119.96 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.646 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -41.26 145.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -96.37 143.81 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.7 m-85 -50.99 171.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HG2' HG13 ' A' ' 15' ' ' VAL . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.081 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -80.9 99.5 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -62.13 -173.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.89 -70.36 1.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -71.24 60.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 37.23 85.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -149.23 154.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 -116.48 125.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.609 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.922 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 HD12 HG23 ' A' ' 39' ' ' ILE . 21.4 mt -42.66 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -92.6 129.75 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' CE3' ' A' ' 61' ' ' TRP . 2.1 p80 -143.62 179.55 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -123.65 163.42 21.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mt -52.33 126.52 19.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -75.15 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.07 152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.646 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 29' ' ' ILE . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.081 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.9 m-70 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' HD12 ' A' ' 9' ' ' LEU . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -97.85 67.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.94 -132.57 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 58.52 164.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.83 61.27 6.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.0 p -64.76 174.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -116.56 67.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLU . . . -171.93 -62.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ALA . 5.2 mt-10 43.09 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 88.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -98.32 157.69 16.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -55.92 121.81 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -147.96 -59.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.5 mp 65.95 85.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -164.15 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -96.88 168.43 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 62.8 m -77.28 -47.73 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.751 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 89' ' ' LYS . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HB3' HD11 ' A' ' 14' ' ' ILE . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' ' 12' ' ' LYS . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -41.76 78.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -93.2 72.42 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -167.51 102.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 77.97 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m 64.34 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.4 m 61.68 82.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.102 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -156.61 91.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.91 161.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.65 -128.31 8.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.8 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -132.85 -60.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.75 87.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 135.4 46.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -77.65 -174.74 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -156.99 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.615 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 -151.85 170.16 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' NZ ' ' A' ' 75' ' ' LYS . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.168 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.856 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.6 tptp -88.53 129.96 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 18' ' ' LYS . 13.8 mt -128.24 -160.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.75 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -147.3 -55.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -122.89 -66.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.01 173.75 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 -52.97 158.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 108.002 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.792 ' O ' HG12 ' A' ' 17' ' ' VAL . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.768 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 11' ' ' TYR . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 37' ' ' LEU . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt -43.82 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.76 136.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -167.03 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -59.03 153.12 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.47 -68.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.58 -68.11 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.79 117.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 HG12 ' A' ' 29' ' ' ILE . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.168 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.492 HG22 HD11 ' A' ' 9' ' ' LEU . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -110.26 101.0 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.28 57.67 1.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -174.3 92.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' NZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER 168.46 158.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.43 78.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -173.96 78.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.38 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.88 110.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.99 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.38 160.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' SER . 3.8 t -165.52 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -88.09 165.19 15.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.49 -65.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.9 94.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.474 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 27.3 m -82.55 -38.87 23.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.652 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 89' ' ' LYS . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.999 ' O ' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.787 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -59.42 -31.6 69.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -48.47 -65.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.77 136.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.38 97.44 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -123.2 153.34 40.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.84 146.31 29.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -142.08 104.03 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.66 -58.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.62 71.48 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -132.32 109.4 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -114.71 113.98 25.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 164.1 -118.54 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 39.5 mttt -40.52 131.07 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.657 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mt -68.22 139.66 56.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -105.26 136.04 45.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.664 ' HA ' HG22 ' A' ' 29' ' ' ILE . 21.2 m-85 -42.7 166.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 25' ' ' TRP . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -99.39 117.01 32.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -106.15 -58.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 -168.47 12.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -55.46 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.48 170.16 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.6 116.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 -112.83 175.61 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.849 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 14' ' ' ILE . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 35' ' ' VAL . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 37' ' ' LEU . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt -53.61 140.23 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -84.99 103.59 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.456 ' ND1' ' CE3' ' A' ' 61' ' ' TRP . 1.1 p80 -115.83 177.87 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.2 162.6 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -43.51 154.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.42 -72.65 2.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.657 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 29' ' ' ILE . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.795 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.3 m-70 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' HB3' HG21 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 9' ' ' LEU . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 72' ' ' GLU . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -117.07 81.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.55 90.75 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 179.2 96.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.99 71.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.2 p -64.71 122.56 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -104.64 60.24 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -178.83 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -150.74 155.19 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.58 171.62 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.93 112.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.9 p -109.28 -44.4 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.85 147.48 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 mp 65.63 136.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.16 -57.16 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.78 157.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.683 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 18.8 m -87.96 -46.67 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.682 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 88' ' ' PHE . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.589 ' HB3' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.813 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -31.43 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -61.77 -67.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.78 -49.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.69 152.84 15.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.09 5.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.46 91.92 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.96 128.34 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.62 83.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 153.16 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.43 -140.55 11.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -162.29 -58.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 111.76 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.55 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 57.64 36.95 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' GLN . 7.0 mt 59.05 111.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 148.31 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 29' ' ' ILE . 36.0 m-85 -52.73 173.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.856 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.862 HG12 ' O ' ' A' ' 25' ' ' TRP . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.795 ' O ' HD23 ' A' ' 19' ' ' LEU . 5.7 tttt -89.28 121.81 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 18' ' ' LYS . 7.6 mt -129.27 -65.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 96.83 -165.9 23.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.3 -66.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -104.22 -63.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 -176.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -79.79 166.69 21.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.862 ' O ' HG12 ' A' ' 17' ' ' VAL . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.856 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.763 ' HA ' HG12 ' A' ' 51' ' ' VAL . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 42' ' ' LEU . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 37' ' ' LEU . 31.8 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 24.2 mt -46.74 158.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -94.33 168.01 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 42.1 p-80 -169.17 -172.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.6 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.77 -177.45 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -39.65 -31.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' ASP . . . -112.01 -123.7 4.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 61.51 138.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' HD1' HG13 ' A' ' 51' ' ' VAL . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 29' ' ' ILE . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' A' ' 57' ' ' HIS . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.792 ' HB2' HD12 ' A' ' 9' ' ' LEU . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -102.2 61.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 -121.94 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 71.26 -64.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -173.16 68.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 t -46.9 101.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 3.9 t80 -118.23 80.77 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . -179.34 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.57 172.6 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.64 48.15 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -178.77 93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . 6.5 t -95.19 65.9 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.78 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 pp -118.11 -172.88 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -168.6 91.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -136.06 -172.05 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.436 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m -95.18 -44.98 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.058 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.058 HD11 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 14' ' ' ILE . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.83 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -38.27 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -46.22 -69.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.48 112.09 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.76 -173.19 23.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.411 1.07 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.63 29.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.1 t -83.77 -57.36 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.1 p -144.11 115.88 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 61.81 155.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -168.68 -58.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -137.01 7.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.78 106.88 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -127.68 161.25 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 148.68 7.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -45.86 120.81 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.744 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mp -44.96 148.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -102.19 151.29 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 -56.15 173.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.842 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt -86.75 124.6 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.486 HD21 ' CG1' ' A' ' 17' ' ' VAL . 7.8 mt -106.44 -76.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.57 -74.87 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 173.42 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.74 36.31 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.81 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 65.33 170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' A' ' 37' ' ' LEU . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 46.0 mt -51.07 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.71 121.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -125.41 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.4 168.35 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -65.91 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -39.33 -81.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -36.28 142.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.744 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.43 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' HB2' HD12 ' A' ' 9' ' ' LEU . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -113.78 47.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -147.89 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.7 t0 -40.25 99.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -94.97 -179.04 4.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t 67.5 73.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 26.9 p90 -136.04 -47.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 77' ' ' PHE . . . -150.91 -63.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 mt-10 39.68 50.89 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 41.43 -162.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 82' ' ' THR . 1.2 tt0 -178.91 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.741 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 81' ' ' GLN . 14.1 t 43.31 27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' CG1' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -171.61 57.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 83' ' ' SER . 23.8 mt -153.2 101.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.72 96.83 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.64 -172.59 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 2.6 m -67.75 -39.35 84.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.092 ' CE2' HD11 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.092 HD11 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' A' ' 14' ' ' ILE . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.43 72.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -96.04 79.55 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.64 94.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.81 157.38 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.77 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.2 87.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -59.8 122.43 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -125.02 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -78.13 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.57 62.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -82.05 104.95 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 84.6 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.07 -155.67 52.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -117.7 73.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 4.7 mt 59.96 177.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -169.47 147.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 -44.84 166.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 69' ' ' PRO . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.817 ' O ' HD23 ' A' ' 19' ' ' LEU . 12.5 tttt -95.4 125.34 39.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 18' ' ' LYS . 12.2 mt -125.84 -66.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.88 -45.5 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -91.04 153.91 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 39.42 50.34 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 52.92 179.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 -66.53 177.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.788 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.676 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.637 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt -49.31 -63.67 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 63.61 136.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASP . 4.2 t-80 -176.72 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 39.08 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.8 mt 65.47 53.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 -31.43 8.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -89.44 140.79 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.052 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 m-70 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 -130.03 84.44 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.06 56.31 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.86 -53.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.19 115.14 6.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.16 83.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 2.5 t80 -112.23 81.77 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . 179.53 77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -159.52 158.22 31.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.23 -151.66 22.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.35 137.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -40.97 -42.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.92 -63.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt 68.95 -67.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.78 -55.03 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 149.22 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.471 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.6 m -94.98 -52.62 4.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.967 ' CD2' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.685 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.48 76.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -94.9 69.93 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.9 t -114.41 -66.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 153.0 42.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.08 33.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -175.67 140.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.88 126.94 44.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -167.7 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -82.39 162.82 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.68 -83.9 1.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -141.2 120.69 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -174.21 162.53 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.33 150.06 5.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 128.71 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.2 mp -40.33 145.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -98.46 144.55 27.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 -50.84 176.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.833 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.009 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD23 ' A' ' 19' ' ' LEU . 42.5 tptt -95.9 119.44 34.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 17' ' ' VAL . 5.5 mt -113.19 177.45 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.8 139.78 37.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.74 153.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 26.1 p90 -42.02 118.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 3.4 ttm-85 168.62 165.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 -158.67 136.13 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.734 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.833 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.642 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' CG2' ' A' ' 39' ' ' ILE . 10.0 mt -47.87 121.68 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 143.36 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.68 -170.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.49 163.87 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLY . 29.7 tp -60.35 -64.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -37.28 -62.69 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' GLY . 4.9 m-20 -39.25 132.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.009 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' CB ' HD12 ' A' ' 9' ' ' LEU . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 72' ' ' GLU . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -119.55 -70.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.54 71.79 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.27 95.7 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 51.58 -178.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 p -168.43 103.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.82 -141.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.91 62.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.34 76.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.97 -166.19 30.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.93 138.38 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 t -73.54 164.08 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t -149.44 -67.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -172.07 126.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 24.2 t-20 76.73 -65.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 60.43 109.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.501 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.7 m -94.37 -52.25 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.866 ' O ' HD22 ' A' ' 102' ' ' LEU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -63.27 -46.84 84.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.07 -51.92 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.15 96.52 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.74 -172.25 31.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.37 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.58 110.57 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -132.58 90.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -92.74 139.55 30.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.79 -58.82 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.92 139.63 9.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -155.64 136.66 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 66.57 145.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.26 -128.19 4.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 27.8 mttp 54.11 73.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.662 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 3.1 mt 62.32 132.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 13' ' ' GLN . 18.1 p80 -97.84 150.54 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 -55.66 175.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 tptt -81.9 124.42 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 18' ' ' LYS . 18.5 mt -120.18 -62.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.24 161.69 28.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.43 145.29 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 43.81 56.39 4.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 179.49 125.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CD1' ' C ' ' A' ' 23' ' ' ARG . 7.5 m95 -141.18 154.36 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.729 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.862 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.517 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 32' ' ' PRO . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' HD13 ' A' ' 37' ' ' LEU . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 39' ' ' ILE . 17.9 mt -50.72 122.92 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -90.39 124.31 34.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -152.94 177.65 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.33 178.45 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 8.3 mt -70.37 -69.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.18 -62.11 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.37 121.86 1.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.662 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HD3' ' A' ' 8' ' ' LYS . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 -122.71 -72.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.22 90.83 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.02 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -139.57 151.67 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.07 157.4 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.42 -49.42 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.54 -61.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -136.34 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.34 -153.05 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 154.32 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.7 p 37.31 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 m -90.99 -58.53 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 tp -172.96 147.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -92.95 94.33 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -145.93 176.92 9.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.65 HG22 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m -49.39 -44.98 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.433 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.978 ' CE2' HD11 ' A' ' 92' ' ' LEU . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.978 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 14' ' ' ILE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.688 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.21 66.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -99.01 71.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -68.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.43 3.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.3 40.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.08 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.074 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 p -160.87 127.66 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.57 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -58.91 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.84 145.55 9.93 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m 67.99 125.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -62.77 150.39 41.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -74.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -95.69 33.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD11 HG22 ' A' ' 67' ' ' VAL . 6.2 mt 56.43 -174.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.11 154.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 -52.29 168.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.91 121.7 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.687 HD21 HG13 ' A' ' 17' ' ' VAL . 1.8 mt -115.09 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.65 -76.09 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -60.02 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -88.22 141.62 28.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 19.1 mtt85 -38.83 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 -149.9 148.65 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.759 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 14' ' ' ILE . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 9' ' ' LEU . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.638 HG23 HD12 ' A' ' 42' ' ' LEU . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HG23 ' A' ' 39' ' ' ILE . 27.6 mt -49.31 129.34 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 149.76 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.85 -167.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.13 -173.32 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.89 177.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.24 -66.11 0.23 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.7 m-20 -41.42 114.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' TYR . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.843 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.616 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 m-70 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.673 HG22 HD11 ' A' ' 9' ' ' LEU . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 -111.47 95.79 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 82.98 1.01 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -49.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -50.54 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m 53.52 82.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -175.25 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.43 79.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -125.09 -60.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.2 125.43 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.64 -67.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.3 p -136.91 81.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -80.56 90.65 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 6.0 mt -128.63 97.51 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 4.1 t-20 81.4 -54.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 123.99 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.686 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m -74.1 -47.23 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 92' ' ' LEU . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -92.37 67.44 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -155.65 150.69 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.59 -86.35 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 99.66 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.26 147.83 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.948 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.5 t -68.18 -56.19 9.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.76 95.66 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 106.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 127.3 2.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -107.68 109.91 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.93 113.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.43 -146.93 16.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -53.26 120.71 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.5 mt -59.38 137.54 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -99.28 154.67 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 -56.48 176.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 102' ' ' LEU . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.098 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' C ' HD23 ' A' ' 19' ' ' LEU . 14.4 tttt -102.8 120.63 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD21 HG13 ' A' ' 17' ' ' VAL . 5.9 mt -104.8 -63.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 -173.56 26.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.39 123.63 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 43.43 72.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -169.79 85.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 -106.1 140.82 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.818 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.758 ' HB2' HD13 ' A' ' 14' ' ' ILE . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' TYR . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.552 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt -53.29 133.17 39.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 138.31 32.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' NE2' ' CZ3' ' A' ' 61' ' ' TRP . 33.2 p-80 -162.65 -177.87 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.74 172.24 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.18 89.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.18 -75.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.51 167.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 HG12 ' A' ' 29' ' ' ILE . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.098 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 72' ' ' GLU . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.96 -65.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.29 69.71 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.69 -66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 t -89.39 163.97 15.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -38.5 -74.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 77' ' ' PHE . . . 86.11 135.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 9.5 mt-10 -34.11 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -51.75 -71.79 0.61 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.55 112.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -94.62 141.74 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.61 152.7 23.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -48.93 -30.74 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -157.97 144.39 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -170.68 150.3 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m -75.53 -41.08 55.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.936 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD11 ' HE2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -34.61 19.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -55.29 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -74.56 95.06 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.32 -175.09 21.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.04 26.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.5 m -94.02 127.29 39.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 t -96.51 -58.41 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.55 121.24 41.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 153.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 -135.9 7.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -95.41 106.96 19.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -121.0 145.83 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.67 -100.22 2.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -106.47 135.48 47.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.2 mt -42.5 128.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -80.74 -174.4 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.669 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 -86.31 172.84 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.543 ' CE2' ' CD2' ' A' ' 77' ' ' PHE . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.16 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.752 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.3 ttpt -88.9 120.98 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 18' ' ' LYS . 15.5 mt -122.7 -75.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 110.29 169.65 19.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 70.11 -61.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -113.02 53.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.66 178.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 -79.62 178.13 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.802 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.734 ' HB2' HD13 ' A' ' 14' ' ' ILE . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 39' ' ' ILE . 27.5 mt -49.52 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 65.25 114.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.622 ' CE1' ' OD1' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -93.65 -61.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.04 -68.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -164.91 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -38.43 -59.69 1.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.622 ' OD1' ' CE1' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -39.52 132.79 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 29' ' ' ILE . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.16 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 61' ' ' TRP . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -111.06 -58.49 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.95 90.57 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.15 -53.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.48 165.88 29.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.8 p -119.49 155.44 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.543 ' CD2' ' CE2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -103.37 -49.7 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLU . . . -145.75 -65.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' ALA . 10.4 mt-10 38.83 74.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.65 172.39 42.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 139.93 31.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -121.01 151.74 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -43.9 130.75 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER 47.89 -174.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -49.97 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tptm 72.07 122.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -53.85 -40.6 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.943 ' CE2' HD11 ' A' ' 92' ' ' LEU . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 14' ' ' ILE . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -49.25 62.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -44.8 -66.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER 80.43 159.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 121.75 6.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.24 132.46 55.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.5 p -104.57 87.29 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -46.11 110.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m 63.03 127.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.95 -135.31 7.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -152.25 165.96 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.24 165.43 18.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.28 -137.59 4.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -96.67 32.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 29' ' ' ILE . 3.5 mt 63.52 -175.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.42 -88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 -155.03 166.0 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt -91.44 124.99 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.535 HD21 ' CG1' ' A' ' 17' ' ' VAL . 11.6 mt -105.51 60.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 -71.02 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' LEU . 3.1 m-20 179.43 77.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.0 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 54.98 106.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 -64.57 144.65 57.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.811 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 9' ' ' LEU . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt -53.13 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.67 143.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -149.14 -149.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 167.09 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 161.39 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.89 -61.06 4.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 -45.46 143.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.62 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 72' ' ' GLU . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -118.88 -59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.38 87.11 0.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -175.46 130.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.66 168.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.49 141.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 92.5 m-85 -120.79 -49.76 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . 169.08 134.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 78' ' ' ALA . 9.5 mt-10 -33.67 114.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.97 135.22 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 82' ' ' THR . 18.1 mt-30 -128.1 89.2 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 81' ' ' GLN . 11.4 t 45.34 -167.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -117.57 85.52 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.9 mt -139.47 131.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -45.56 148.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -174.79 148.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m -62.27 -48.78 78.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.845 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.845 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' CB ' HD11 ' A' ' 14' ' ' ILE . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.67 54.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -52.86 -59.12 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 t 65.25 132.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.44 159.98 23.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.79 25.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m 60.89 156.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m -85.94 92.41 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.34 82.45 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.75 145.72 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -166.25 13.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -167.51 127.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -145.82 97.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 -154.4 25.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -41.28 125.9 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mt -69.34 173.68 5.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.79 150.55 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 -51.73 171.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.918 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.702 ' C ' HD23 ' A' ' 19' ' ' LEU . 2.5 ttpt -97.22 122.2 39.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 17' ' ' VAL . 3.5 mt -119.74 92.05 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.25 -114.64 4.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.75 99.84 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -178.89 -64.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 166.35 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -109.87 164.05 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.829 ' O ' HG12 ' A' ' 17' ' ' VAL . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.918 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.843 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 50' ' ' PRO . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt -67.22 136.86 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.59 122.87 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -101.02 -165.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -113.27 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -164.2 97.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 130.89 -65.06 0.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -36.32 137.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 29' ' ' ILE . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.955 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.564 ' CE1' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 -117.91 76.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 162.55 -59.94 0.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 113.04 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.68 120.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' A' ' 78' ' ' ALA . 51.9 p90 -169.48 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' N ' ' CD2' ' A' ' 77' ' ' PHE . . . -156.64 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -126.03 -72.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.02 -145.62 5.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -144.79 114.6 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 11.5 t -107.16 67.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t 66.28 -72.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' THR . 43.2 mm -41.11 137.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.6 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.77 134.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.573 HG22 ' CH2' ' A' ' 25' ' ' TRP . 3.1 m -63.72 -48.64 76.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.875 HD11 ' CE2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 14' ' ' ILE . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -33.33 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -96.07 69.3 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m 65.25 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.034 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.03 28.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.8 p 45.97 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.57 158.18 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -103.17 169.94 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 140.88 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 -87.7 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 167.74 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.21 133.06 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 63.58 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.44 111.13 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mp -47.35 147.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.15 148.06 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 -48.24 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -92.77 120.74 33.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.911 HD21 HG13 ' A' ' 17' ' ' VAL . 1.3 mt -112.91 -75.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -168.76 19.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -56.77 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -122.45 84.35 2.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.5 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -91.7 164.2 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.897 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.72 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 59' ' ' TYR . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 42' ' ' LEU . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 37' ' ' LEU . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD12 HG23 ' A' ' 39' ' ' ILE . 28.1 mt -49.8 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.81 136.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -140.74 -66.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -170.76 166.15 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -48.37 -70.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.56 -78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.73 121.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.655 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 29' ' ' ILE . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.617 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.2 m-70 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' HB3' HG21 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -129.88 121.04 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASP . . . 90.52 -67.33 2.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' GLY . 3.3 t70 -39.92 -45.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.04 119.89 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 98.29 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -177.41 -51.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.29 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -39.25 144.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.76 -154.37 25.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 60.32 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 t -140.59 138.95 34.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.679 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER 55.55 172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 83' ' ' SER . 3.4 mp 60.74 106.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -69.47 139.47 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -132.16 131.32 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 4.3 m -44.52 -48.98 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.881 ' CE2' HD11 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.881 HD11 ' CE2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 14' ' ' ILE . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.813 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -34.79 51.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -53.03 -66.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 1.9 t 84.46 -64.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.8 -173.77 19.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.07 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.18 88.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 124.2 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 111.02 179.98 . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 179.74 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.11 163.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.45 137.28 9.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -150.84 111.75 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.93 164.39 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.8 59.82 3.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -120.54 117.56 27.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.2 mt -72.2 138.47 47.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -109.31 156.58 19.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HA ' HG22 ' A' ' 29' ' ' ILE . 23.4 m-85 -55.51 172.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.4 ttpp -93.39 124.19 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' LYS . 19.2 mt -117.74 90.23 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 -105.32 2.88 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -124.55 -62.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 30.9 p90 -95.85 179.08 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 22' ' ' TYR . 4.3 mtp180 61.13 140.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 -133.96 160.36 37.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CZ2' HG22 ' A' ' 87' ' ' THR . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HB2' HD13 ' A' ' 14' ' ' ILE . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 39' ' ' ILE . 25.0 mt -45.06 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -100.53 127.81 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CG ' ' CE3' ' A' ' 61' ' ' TRP . 0.5 OUTLIER -146.88 174.5 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -132.81 168.03 19.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.57 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.86 -79.0 1.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.91 147.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.682 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.889 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 m-70 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.515 ' CE3' ' CG ' ' A' ' 44' ' ' HIS . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HB2' HD12 ' A' ' 9' ' ' LEU . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 126.82 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.91 90.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.96 92.55 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 51.81 56.1 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.62 162.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -98.15 -51.88 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.1 -55.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 110.14 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.56 170.99 17.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 39.01 72.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -168.38 154.44 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.72 145.6 52.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.593 HG22 ' HG2' ' A' ' 89' ' ' LYS . 1.1 pp -101.52 132.7 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -165.02 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 157.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.618 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 3.9 m -59.71 -44.85 93.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.662 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 14' ' ' ILE . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' ALA . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -54.05 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -98.33 77.8 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 t -129.99 -60.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.24 145.83 8.75 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.97 4.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -118.37 107.88 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.9 t -148.6 128.72 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.37 -59.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.03 158.6 30.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.03 138.95 5.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.59 97.9 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -160.26 155.2 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 83.83 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -110.29 30.77 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.661 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 10.7 mt 68.54 163.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.4 p80 -166.32 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 -158.18 163.26 37.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.718 ' CG1' HD21 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.4 125.32 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 17' ' ' VAL . 15.3 mt -112.81 -170.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.45 116.89 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.17 -177.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 50.03 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -66.44 170.17 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 -85.11 -178.22 6.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.863 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 9' ' ' LEU . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.518 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.2 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt -56.19 123.38 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -80.97 153.31 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -137.12 -165.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 70.3 m-20 -125.51 -67.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.45 139.93 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 77.84 -53.24 3.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.3 m-20 -39.3 119.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.661 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.6 m-70 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 74' ' ' ASP . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -116.22 70.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.69 70.9 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB3' HG21 ' A' ' 71' ' ' VAL . 3.7 t0 -177.16 131.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.85 60.4 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -87.33 103.78 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.48 -65.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.58 63.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -144.4 144.75 31.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.28 -141.55 8.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.47 149.93 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.1 p -76.37 153.88 35.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.625 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -168.81 126.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER 48.65 -175.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -122.54 147.57 46.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.28 132.55 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -39.23 -50.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.889 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.595 ' CB ' HD11 ' A' ' 14' ' ' ILE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.712 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.48 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.81 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t 42.65 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.57 175.38 13.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.39 40.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m 47.81 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.0 t -82.35 138.25 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 141.62 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -131.4 144.76 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 88.63 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.23 129.13 15.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.064 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -123.1 -59.58 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 -97.05 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -55.49 117.34 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.3 mp -53.93 151.17 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -111.72 142.78 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.737 ' CE2' ' ND2' ' A' ' 31' ' ' ASN . 47.8 m-85 -45.26 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -97.37 122.98 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.12 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.49 -76.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.68 -172.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.28 53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -104.88 -50.01 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 63.9 133.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' CZ2' HG22 ' A' ' 87' ' ' THR . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.704 ' HB2' HD13 ' A' ' 14' ' ' ILE . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' TYR . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.737 ' ND2' ' CE2' ' A' ' 11' ' ' TYR . 2.5 m120 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 37' ' ' LEU . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt -55.61 133.52 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -95.04 141.21 28.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.81 -172.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.627 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.07 173.02 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -62.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.2 -74.18 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.55 123.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.608 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.68 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m-70 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 -120.56 140.27 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.45 90.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' SER . 2.7 t0 -156.15 99.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 mttp 66.33 -74.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -144.46 144.51 31.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 32.3 p90 -64.15 -30.71 71.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' CB ' HD22 ' A' ' 92' ' ' LEU . . . -168.2 62.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 67.12 -67.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . 127.71 117.92 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.09 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.63 159.85 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -152.66 134.71 14.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.54 86.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 85' ' ' ASN . 42.7 mm 64.09 -97.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.509 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -143.72 -51.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 -177.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 1.7 m -95.35 -44.22 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.935 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.54 ' CB ' HD11 ' A' ' 14' ' ' ILE . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -50.37 74.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -90.05 77.97 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 m -156.13 175.83 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.25 74.22 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -51.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 p -59.92 152.63 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -170.07 165.46 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.41 162.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.21 84.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m 53.28 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -124.19 162.36 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.51 -85.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 161.32 21.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -77.3 -171.96 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 5.6 m80 -169.16 170.66 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 -60.57 162.23 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 108' ' ' SER . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.94 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.95 110.01 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 25' ' ' TRP . 1.1 mm? -70.71 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.81 -68.08 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -158.86 64.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.79 62.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? 62.66 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.16 169.45 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 107.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.626 ' CB ' HD21 ' A' ' 19' ' ' LEU . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.94 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.837 ' HA ' HG12 ' A' ' 51' ' ' VAL . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 50' ' ' PRO . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt -51.1 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 3.1 mttt 64.02 158.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.37 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 72.9 m80 -159.87 -79.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -159.45 174.1 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 126.18 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 129.76 -92.37 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -32.94 129.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HD1' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 29' ' ' ILE . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.66 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB3' HG21 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HB2' HD11 ' A' ' 9' ' ' LEU . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 72' ' ' GLU . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 -121.01 110.65 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.31 79.24 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.2 91.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 40.58 56.81 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -156.58 132.05 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 76' ' ' SER . 8.0 m-85 -167.54 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 92' ' ' LEU . . . -166.26 -65.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 41.5 70.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.26 -62.54 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' THR . 1.1 mt-30 70.69 -179.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 81' ' ' GLN . 82.7 p 37.02 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -142.64 109.23 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.39 -66.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -86.57 163.99 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 53.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m -94.67 -47.14 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.715 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.66 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 88' ' ' PHE . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.8 ' HB3' HD11 ' A' ' 14' ' ' ILE . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -50.95 71.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.38 -57.19 4.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -178.46 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.89 153.15 29.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -69.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.573 1.828 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.437 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 39.3 t -45.19 139.32 3.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.8 t -168.33 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -47.26 152.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.82 133.26 11.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 90.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -93.45 101.74 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 86.23 1.43 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -116.59 34.74 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 HD11 ' A' ' 29' ' ' ILE . 6.7 mt 62.53 118.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.1 144.21 41.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 -39.74 160.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 102' ' ' LEU . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' HB2' ' A' ' 28' ' ' GLU . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt -95.32 128.27 42.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.615 HD21 ' CG1' ' A' ' 17' ' ' VAL . 13.6 mt -110.06 63.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.08 -99.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 10.0 p-10 -123.17 88.69 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 177.7 172.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 137.33 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 -65.97 148.65 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.923 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.806 HD11 HD22 ' A' ' 9' ' ' LEU . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HG ' ' C ' ' A' ' 50' ' ' PRO . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt -40.93 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 141.41 50.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -164.06 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -163.15 160.05 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -40.46 -66.21 0.87 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -40.05 138.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 29' ' ' ILE . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 1.5 m-70 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' PRO . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -113.62 94.15 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.78 101.4 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -166.25 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -162.39 172.55 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 p -51.77 135.06 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -87.52 -50.06 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' HD13 ' A' ' 92' ' ' LEU . . . -177.34 102.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -140.23 132.13 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.17 -134.77 8.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -66.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -130.15 61.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.76 89.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.26 151.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -120.64 103.08 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.52 176.0 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -49.2 -48.22 45.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.921 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.921 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.605 ' HB3' HD11 ' A' ' 14' ' ' ILE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -50.87 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -44.9 -55.22 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.39 -59.69 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.82 145.09 40.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.66 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -128.98 131.14 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 -59.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' HG22 ' A' ' 29' ' ' ILE . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.548 0.214 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.778 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.664 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.475 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.528 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.523 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.779 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 72' ' ' GLU . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 71' ' ' VAL . 5.3 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.445 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 40.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' LYS . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.779 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' ILE . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HG2' HG13 ' A' ' 15' ' ' VAL . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.081 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.609 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.922 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 HD12 HG23 ' A' ' 39' ' ' ILE . 21.4 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CE1' HG12 ' A' ' 29' ' ' ILE . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 29' ' ' ILE . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.081 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.1 m170 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 62.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.751 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 89' ' ' LYS . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HB3' HD11 ' A' ' 14' ' ' ILE . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' ' 12' ' ' LYS . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.168 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tptp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.792 ' O ' HG12 ' A' ' 17' ' ' VAL . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.768 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 11' ' ' TYR . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 37' ' ' LEU . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 HG12 ' A' ' 29' ' ' ILE . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.168 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' CD2' ' A' ' 57' ' ' HIS . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.474 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 27.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.652 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 89' ' ' LYS . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.999 ' O ' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.664 ' HA ' HG22 ' A' ' 29' ' ' ILE . 21.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 25' ' ' TRP . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.849 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 14' ' ' ILE . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 35' ' ' VAL . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 37' ' ' LEU . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 29' ' ' ILE . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.795 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 m170 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' HB3' HG21 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 72' ' ' GLU . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.683 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 18.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.682 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 88' ' ' PHE . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.589 ' HB3' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 29' ' ' ILE . 36.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.499 0.19 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.856 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.862 HG12 ' O ' ' A' ' 25' ' ' TRP . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.862 ' O ' HG12 ' A' ' 17' ' ' VAL . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.856 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.763 ' HA ' HG12 ' A' ' 51' ' ' VAL . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 42' ' ' LEU . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 37' ' ' LEU . 77.2 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 24.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.41 ' OD2' ' C ' ' A' ' 61' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' HD1' HG13 ' A' ' 51' ' ' VAL . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 29' ' ' ILE . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.3 m170 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.436 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.058 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.058 HD11 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 14' ' ' ILE . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.536 0.207 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.842 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' A' ' 37' ' ' LEU . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 46.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.546 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 2.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.092 ' CE2' HD11 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.092 HD11 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' A' ' 14' ' ' ILE . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 69' ' ' PRO . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.052 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 12.5 tttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.788 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.676 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.637 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.052 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 11.3 m170 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.471 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.6 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.967 ' CD2' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.491 0.186 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.833 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.009 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 42.5 tptt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.734 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.833 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.642 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' CG2' ' A' ' 39' ' ' ILE . 10.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 29' ' ' ILE . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.009 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 9.9 m170 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 72' ' ' GLU . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.501 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.866 ' O ' HD22 ' A' ' 102' ' ' LEU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.461 0.172 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 tptt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.729 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.862 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.517 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 32' ' ' PRO . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' HD13 ' A' ' 37' ' ' LEU . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 39' ' ' ILE . 17.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.65 HG22 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.978 ' CE2' HD11 ' A' ' 92' ' ' LEU . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.978 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 14' ' ' ILE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.759 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 14' ' ' ILE . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 11' ' ' TYR . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.638 HG23 HD12 ' A' ' 42' ' ' LEU . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HG23 ' A' ' 39' ' ' ILE . 27.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' TYR . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.843 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.616 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.8 m170 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.686 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 92' ' ' LEU . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.536 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 102' ' ' LEU . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.098 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 14.4 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.818 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.758 ' HB2' HD13 ' A' ' 14' ' ' ILE . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' TYR . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.552 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 HG12 ' A' ' 29' ' ' ILE . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.098 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 72' ' ' GLU . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.936 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD11 ' HE2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.16 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 10.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.802 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.734 ' HB2' HD13 ' A' ' 14' ' ' ILE . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 39' ' ' ILE . 27.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 29' ' ' ILE . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.16 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 61' ' ' TRP . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.492 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.943 ' CE2' HD11 ' A' ' 92' ' ' LEU . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 14' ' ' ILE . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.494 0.188 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.811 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.678 ' HA ' HG12 ' A' ' 51' ' ' VAL . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.62 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 72' ' ' GLU . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.845 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.845 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.508 ' CB ' HD11 ' A' ' 14' ' ' ILE . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.575 0.226 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.918 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.829 ' O ' HG12 ' A' ' 17' ' ' VAL . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.918 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.843 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 50' ' ' PRO . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 29' ' ' ILE . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.955 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.573 HG22 ' CH2' ' A' ' 25' ' ' TRP . 3.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.875 HD11 ' CE2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 14' ' ' ILE . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.897 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.72 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 59' ' ' TYR . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 42' ' ' LEU . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 37' ' ' LEU . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD12 HG23 ' A' ' 39' ' ' ILE . 28.1 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 29' ' ' ILE . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.617 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 6.3 m170 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' HB3' HG21 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.881 ' CE2' HD11 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.881 HD11 ' CE2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 14' ' ' ILE . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HA ' HG22 ' A' ' 29' ' ' ILE . 23.4 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 6.4 ttpp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CZ2' HG22 ' A' ' 87' ' ' THR . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HB2' HD13 ' A' ' 14' ' ' ILE . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 39' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.889 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.4 m170 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.618 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 3.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.662 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 14' ' ' ILE . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.493 0.187 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.863 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.518 ' HB2' HD13 ' A' ' 37' ' ' LEU . 75.6 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 m170 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.578 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.889 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.889 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.595 ' CB ' HD11 ' A' ' 14' ' ' ILE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.712 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.68 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' CZ2' HG22 ' A' ' 87' ' ' THR . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.704 ' HB2' HD13 ' A' ' 14' ' ' ILE . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' TYR . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.587 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m-80 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 37' ' ' LEU . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 29' ' ' ILE . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.68 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.2 m170 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 1.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.935 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.54 ' CB ' HD11 ' A' ' 14' ' ' ILE . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' LYS . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.443 0.163 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.94 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HB3' HG12 ' A' ' 17' ' ' VAL . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.94 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.837 ' HA ' HG12 ' A' ' 51' ' ' VAL . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 50' ' ' PRO . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HD1' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 29' ' ' ILE . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.66 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB3' HG21 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 72' ' ' GLU . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.715 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.66 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 88' ' ' PHE . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.8 ' HB3' HD11 ' A' ' 14' ' ' ILE . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.538 0.209 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 102' ' ' LEU . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' HB2' ' A' ' 28' ' ' GLU . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.923 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.599 ' HA ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HG ' ' C ' ' A' ' 50' ' ' PRO . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 29' ' ' ILE . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' PRO . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.921 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.921 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.605 ' HB3' HD11 ' A' ' 14' ' ' ILE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 121.21 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t 60.81 113.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.82 83.04 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -145.1 122.68 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.5 82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 158.29 11.46 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 62.72 137.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.646 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -70.39 152.72 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -123.77 141.14 52.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' HG22 ' A' ' 29' ' ' ILE . 18.8 m-85 -41.24 162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 49.94 59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -142.46 129.89 21.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.778 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.4 mm -79.22 127.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG11 ' CD2' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -142.92 179.43 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -105.31 138.29 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 108.014 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.765 ' CG1' HD21 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -105.32 127.04 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' C ' HD23 ' A' ' 19' ' ' LEU . 9.0 ttmm -85.88 126.98 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD21 ' CG1' ' A' ' 17' ' ' VAL . 15.0 mt -112.63 -54.04 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.45 151.74 6.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 58.36 -178.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -53.13 -19.94 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.47 144.44 48.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 10.8 m95 -141.63 -174.88 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.028 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.475 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 12.3 t-105 -158.49 128.91 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.75 42.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.87 20.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.7 tm-20 -133.79 129.37 36.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.528 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -62.26 130.9 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 175.78 5.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 m120 -100.9 157.01 34.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 -19.76 17.51 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -84.97 -15.29 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -55.24 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 m -59.66 157.76 26.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.94 42.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -48.58 -38.94 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -41.97 -44.59 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 13.3 mm -77.53 -55.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -41.33 -50.71 3.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -44.33 -33.35 2.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.6 mt -50.99 129.74 24.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 172.1 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -164.52 -171.66 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 2.8 m-20 -126.72 -75.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 145.58 10.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 76.81 -54.45 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 1.3 m-20 -39.67 121.9 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.646 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.6 p90 -122.97 163.08 35.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 131.18 13.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.3 m -133.52 143.99 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.0 t80 -100.62 123.32 44.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 m-85 -86.46 113.5 22.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.779 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 24.5 m-85 -61.51 165.61 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.88 -58.24 1.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -80.83 -48.98 11.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.6 m170 79.91 69.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.7 m-20 -145.55 140.06 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.591 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 56.9 m-85 -96.37 147.25 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 43.9 m-85 -156.01 162.82 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 76.7 m95 -107.93 110.24 21.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.86 135.31 64.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -53.06 179.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.535 ' HB2' HD12 ' A' ' 9' ' ' LEU . 16.3 pt20 -108.05 154.2 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.76 -20.35 41.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -89.19 -12.58 40.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.73 147.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.48 154.47 46.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.54 8.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.7 121.56 26.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 72' ' ' GLU . 65.5 t -88.8 165.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 71' ' ' VAL . 5.3 tm-20 -111.34 -59.09 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 74' ' ' ASP . . . -79.85 61.48 4.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 1.7 m-20 157.11 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -167.87 -67.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 m 41.11 68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.65 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' O ' ' CG ' ' A' ' 79' ' ' GLU . . . -124.18 74.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 165.63 135.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.46 92.99 1.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 55.51 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.34 135.41 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.59 36.7 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.07 -69.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.9 t30 68.97 93.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -158.98 177.1 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.445 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 40.5 m -46.87 -40.15 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.438 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -44.58 -62.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.11 -49.49 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -54.62 -39.4 67.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -69.57 -44.43 70.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 89' ' ' LYS . 14.4 mt -54.82 -48.98 72.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.57 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -52.51 64.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.779 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.2 -39.56 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -58.35 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.1 tptt -41.44 -65.13 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 14' ' ' ILE . 10.7 mmt180 -39.88 -61.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 59.9 t80 -44.93 -37.63 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' LYS . 2.3 mm100 -77.67 -32.23 53.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.7 mt-10 -73.25 -54.55 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.6 mp -43.34 -60.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -29.53 69.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . -97.79 70.35 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -144.7 147.82 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.09 156.25 6.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.0 8.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t -160.79 94.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.3 m 62.91 152.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.27 121.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -132.2 85.85 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 126.91 1.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -79.75 133.48 36.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.786 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 164.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.93 166.45 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -44.98 119.96 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.646 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -41.26 145.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -96.37 143.81 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' ILE . 26.7 m-85 -50.99 171.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.14 65.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HG2' HG13 ' A' ' 15' ' ' VAL . 48.1 tt0 -142.45 126.14 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' HB2' ' A' ' 28' ' ' GLU . 4.6 mm -74.3 124.27 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.4 m -146.81 168.72 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.54 160.12 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.081 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.1 p -127.35 131.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -80.9 99.5 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -62.13 -173.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.89 -70.36 1.34 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -71.24 60.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 37.23 85.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -149.23 154.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 79.5 m95 -116.48 125.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.609 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t-105 -131.76 134.01 24.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.76 27.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.52 163.65 38.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.922 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -127.99 126.05 40.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.5 mt -59.95 126.73 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.93 175.13 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.82 155.99 36.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.25 17.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -16.27 34.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.69 -58.3 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 m -55.68 157.68 7.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.36 33.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.62 -37.62 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -42.3 -50.83 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.4 mm -71.54 -56.66 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -40.29 -49.73 2.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.45 -37.63 6.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 HD12 HG23 ' A' ' 39' ' ' ILE . 21.4 mt -42.66 145.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -92.6 129.75 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' CE3' ' A' ' 61' ' ' TRP . 7.4 p-80 -143.62 179.55 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.588 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -123.65 163.42 21.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mt -52.33 126.52 19.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -75.15 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.07 152.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.646 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 4.1 p90 -142.72 159.37 57.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.98 127.71 10.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 29' ' ' ILE . 29.2 m -126.69 146.69 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 61.5 t80 -104.02 123.2 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.081 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -90.33 112.92 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 23.9 m-85 -58.47 163.28 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.91 -56.9 3.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.2 p -81.08 -50.37 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.1 m170 79.2 68.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.4 m-20 -146.64 139.61 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.46 141.87 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.7 m-85 -147.88 158.51 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 78.2 m95 -104.72 125.38 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.25 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.7 -174.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' HD12 ' A' ' 9' ' ' LEU . 7.6 pt20 -107.3 161.79 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.27 -29.45 12.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 3.1 mmt85 -79.89 -14.79 58.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.67 145.28 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 3.3 m-85 -116.63 154.04 49.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.78 8.88 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -80.68 117.91 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.34 147.35 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -97.85 67.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.94 -132.57 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 58.52 164.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.83 61.27 6.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.0 p -64.76 174.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -116.56 67.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLU . . . -171.93 -62.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ALA . 5.2 mt-10 43.09 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 88.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -98.32 157.69 16.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -55.92 121.81 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.388 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -147.96 -59.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.5 mp 65.95 85.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -164.15 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -96.88 168.43 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' HZ2' ' A' ' 25' ' ' TRP . 62.8 m -77.28 -47.73 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -42.64 -59.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.751 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.57 -47.3 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -56.89 -38.14 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -71.65 -45.7 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 89' ' ' LYS . 7.0 mt -53.24 -49.72 66.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.5 mt-10 -56.54 -59.63 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.08 -52.68 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.2 -44.49 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.95 -61.61 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.8 tptt -39.9 -67.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HB3' HD11 ' A' ' 14' ' ' ILE . 20.6 mmt180 -38.82 -61.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 51.6 t80 -45.26 -37.07 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.9 mm100 -77.79 -32.91 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.6 mt-10 -71.41 -54.9 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' ' 12' ' ' LYS . 3.6 mp -43.2 -55.11 4.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -41.76 78.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -93.2 72.42 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -167.51 102.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.72 77.97 0.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m 64.34 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.4 m 61.68 82.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.102 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -156.61 91.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.91 161.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.65 -128.31 8.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.8 106.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -132.85 -60.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.75 87.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.79 135.4 46.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -77.65 -174.74 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -156.99 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.615 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 41.5 m-85 -151.85 170.16 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.58 51.2 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -132.8 131.05 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -79.8 133.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.8 m -154.37 164.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.498 ' CZ2' ' NZ ' ' A' ' 75' ' ' LYS . 94.8 m95 -92.24 150.19 21.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.168 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 p -110.04 139.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.856 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.6 tptp -88.53 129.96 35.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 18' ' ' LYS . 13.8 mt -128.24 -160.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.75 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -147.3 -55.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -122.89 -66.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.01 173.75 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 45.9 m95 -52.97 158.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 108.002 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.792 ' O ' HG12 ' A' ' 17' ' ' VAL . 29.7 t-105 -136.65 140.49 32.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -74.98 142.72 28.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.76 38.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.768 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -129.84 128.57 42.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 11' ' ' TYR . 95.2 mt -64.65 132.21 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.89 170.23 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 6.0 m-80 -95.43 164.7 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.74 15.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.814 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.96 -17.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.83 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.49 156.41 31.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.5 39.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -46.13 -32.37 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -48.12 -45.95 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.7 mm -75.16 -51.53 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 37' ' ' LEU . 78.0 mt-30 -43.16 -27.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' ILE . . . -62.06 -43.85 98.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.6 mt -43.82 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.76 136.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -167.03 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -59.03 153.12 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.47 -68.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.58 -68.11 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.79 117.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.8 p90 -115.14 162.32 24.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 130.37 13.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 HG12 ' A' ' 29' ' ' ILE . 12.0 m -131.04 144.76 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 79.1 t80 -107.15 123.23 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.168 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.4 m-85 -87.99 121.1 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 48.4 m-85 -64.74 162.41 16.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' CD2' ' A' ' 57' ' ' HIS . . . 74.18 -56.54 2.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.8 p -80.83 -42.4 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 68.42 64.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.611 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.0 m-20 -140.37 140.83 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 76.0 m-85 -96.43 143.61 27.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.2 m-85 -149.56 149.73 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 95.2 m95 -99.21 103.85 15.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.9 m -124.91 136.56 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -52.95 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.61 157.65 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.19 -13.44 58.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 7.3 mtt180 -94.53 -12.34 27.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.492 HG22 HD11 ' A' ' 9' ' ' LEU . 1.3 m -100.88 149.85 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 4.4 m-85 -114.2 152.23 45.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.37 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.48 130.57 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.72 157.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -110.26 101.0 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.28 57.67 1.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -174.3 92.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' NZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER 168.46 158.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.43 78.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -173.96 78.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.38 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.88 110.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.99 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.38 160.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' SER . 3.8 t -165.52 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -88.09 165.19 15.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.49 -65.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.9 94.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.474 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 27.3 m -82.55 -38.87 23.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.3 t80 -48.82 -59.33 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.652 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.45 -40.31 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -64.68 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . . . -71.09 -36.84 72.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 89' ' ' LYS . 34.0 mt -60.85 -50.54 73.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.4 mt-10 -57.31 -57.89 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.89 -55.5 11.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.83 -43.69 8.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.74 -61.13 2.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.7 tptt -38.44 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.999 ' O ' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -39.61 -61.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -47.35 -34.84 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -79.82 -28.98 40.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.787 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-10 -77.16 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -48.91 -55.82 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -59.42 -31.6 69.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -48.47 -65.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.77 136.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.38 97.44 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -123.2 153.34 40.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.84 146.31 29.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -142.08 104.03 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.66 -58.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.62 71.48 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -132.32 109.4 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -114.71 113.98 25.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 164.1 -118.54 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 39.5 mttt -40.52 131.07 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.657 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mt -68.22 139.66 56.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -105.26 136.04 45.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.664 ' HA ' HG22 ' A' ' 29' ' ' ILE . 21.2 m-85 -42.7 166.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER 49.4 63.48 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -148.24 138.16 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -84.03 128.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -149.66 165.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 95.5 m95 -92.41 161.06 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.995 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 25' ' ' TRP . 4.5 p -124.16 141.34 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG3' ' CH2' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -99.39 117.01 32.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -106.15 -58.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 -168.47 12.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -55.46 33.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.48 170.16 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.6 116.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 18' ' ' LYS . 5.0 m95 -112.83 175.61 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.849 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.5 t-105 -133.84 140.43 36.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.04 145.02 30.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -156.12 160.21 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 14' ' ' ILE . 2.0 tt0 -128.83 127.13 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.664 HG22 ' HA ' ' A' ' 11' ' ' TYR . 88.0 mt -67.42 127.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -112.35 174.85 5.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 159.76 32.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -19.99 17.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -89.34 -13.35 38.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 35' ' ' VAL . 11.4 m -42.29 157.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 151.52 39.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.4 mm? -45.62 -35.76 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -43.3 7.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 59' ' ' TYR . 8.6 mm -77.91 -50.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 37' ' ' LEU . 73.7 mt-30 -48.26 -26.91 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.61 73.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 41.3 mt -53.61 140.23 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -84.99 103.59 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.664 ' CD2' ' CE3' ' A' ' 61' ' ' TRP . 5.0 p-80 -115.83 177.87 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.2 162.6 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -43.51 154.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.42 -72.65 2.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.657 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.0 p90 -125.68 160.51 55.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.31 11.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 29' ' ' ILE . 17.2 m -128.42 146.19 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 75.2 t80 -108.49 123.23 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.795 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -88.81 127.27 35.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 95' ' ' ALA . 64.3 m-85 -71.07 155.24 41.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.34 -58.93 4.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 4.9 t -81.53 -51.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 m170 80.18 67.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -141.51 139.43 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' HB3' HG21 ' A' ' 39' ' ' ILE . 76.9 m-85 -96.58 136.89 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 24.7 m-85 -141.03 152.94 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.664 ' CE3' ' CD2' ' A' ' 44' ' ' HIS . 94.1 m95 -99.97 96.12 7.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.22 136.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 9' ' ' LEU . 5.1 pt20 -110.38 163.3 13.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 -14.66 61.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -96.14 -11.02 26.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -104.49 150.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.49 153.37 51.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -85.1 124.08 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 72' ' ' GLU . 60.3 t -92.51 164.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' CG ' ' CE1' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -117.07 81.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.55 90.75 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 179.2 96.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.99 71.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.2 p -64.71 122.56 17.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -104.64 60.24 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -178.83 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -150.74 155.19 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.58 171.62 20.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.93 112.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.9 p -109.28 -44.4 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.85 147.48 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 mp 65.63 136.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.16 -57.16 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.78 157.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.683 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 18.8 m -87.96 -46.67 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.682 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.4 t80 -47.55 -54.72 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.1 tttm -60.28 -37.69 81.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.05 -36.67 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 88' ' ' PHE . 37.3 mt -60.6 -52.3 65.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.7 mt-10 -57.31 -53.28 59.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.33 -55.26 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . . . -44.71 -44.33 9.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -56.37 -60.8 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ALA . 2.2 tptt -38.67 -69.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.589 ' HB3' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -38.14 -62.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 72' ' ' GLU . 42.4 t80 -44.71 -41.47 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.63 -30.87 63.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.813 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.3 mt-10 -74.9 -53.96 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mp -42.38 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -31.43 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -61.77 -67.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.78 -49.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.69 152.84 15.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.09 5.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.46 91.92 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.96 128.34 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.62 83.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 153.16 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.43 -140.55 11.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -162.29 -58.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 111.76 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.55 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 57.64 36.95 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' GLN . 7.0 mt 59.05 111.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 148.31 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 29' ' ' ILE . 36.0 m-85 -52.73 173.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.34 67.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -146.78 129.47 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.856 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.6 mm -79.42 127.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.9 m -147.29 169.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -98.12 150.78 21.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.862 HG12 ' O ' ' A' ' 25' ' ' TRP . 8.7 p -109.13 144.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.795 ' O ' HD23 ' A' ' 19' ' ' LEU . 5.7 tttt -89.28 121.81 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 18' ' ' LYS . 7.6 mt -129.27 -65.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 96.83 -165.9 23.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.3 -66.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -104.22 -63.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 -176.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -79.79 166.69 21.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.862 ' O ' HG12 ' A' ' 17' ' ' VAL . 27.6 t-105 -132.94 142.08 43.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.01 142.47 27.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.06 160.1 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.856 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -129.6 134.09 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.763 ' HA ' HG12 ' A' ' 51' ' ' VAL . 97.2 mt -67.77 127.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.28 169.72 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -95.29 157.76 35.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.63 6.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -14.55 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -59.03 2.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 m -57.05 157.79 10.63 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.04 33.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -41.14 -38.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -41.18 -51.42 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HD12 ' A' ' 42' ' ' LEU . 12.5 mm -66.32 -49.5 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 37' ' ' LEU . 77.2 mt-30 -45.39 -47.94 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.16 -34.59 4.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 39' ' ' ILE . 24.2 mt -46.74 158.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -94.33 168.01 11.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 42.1 p-80 -169.17 -172.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.6 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.77 -177.45 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -39.65 -31.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' ASP . . . -112.01 -123.7 4.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 61.51 138.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' HD1' HG13 ' A' ' 51' ' ' VAL . 1.8 p90 -138.12 161.21 60.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 29' ' ' ILE . 35.6 m -136.84 141.48 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.8 t80 -100.73 123.1 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.8 m-85 -90.0 97.95 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.821 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.3 m-85 -47.63 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.5 -61.95 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 32.1 t -80.15 -49.96 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.3 m170 84.02 69.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.588 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.13 139.33 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD2' HG13 ' A' ' 39' ' ' ILE . 86.5 m-85 -95.85 147.38 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 58.2 m-85 -152.46 164.11 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.4 m95 -108.77 127.88 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.63 136.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -56.73 -166.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.792 ' HB2' HD12 ' A' ' 9' ' ' LEU . 9.4 pt20 -111.47 170.67 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.67 -3.45 68.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -102.43 -13.46 17.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.36 151.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 2.9 m-85 -114.41 152.11 45.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.33 8.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -79.71 122.83 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.42 151.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -102.2 61.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.38 -121.94 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 71.26 -64.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -173.16 68.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 t -46.9 101.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 3.9 t80 -118.23 80.77 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . -179.34 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.57 172.6 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.64 48.15 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -178.77 93.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . 6.5 t -95.19 65.9 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.78 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 pp -118.11 -172.88 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -168.6 91.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -136.06 -172.05 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.436 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m -95.18 -44.98 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.058 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -41.87 -58.19 2.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -52.11 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -34.66 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -76.75 -51.8 10.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.058 HD11 ' CE2' ' A' ' 88' ' ' PHE . 49.2 mt -49.57 -46.97 49.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.3 mt-10 -63.52 -63.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.56 -54.19 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -51.5 -41.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.78 -58.62 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -39.03 -66.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 14' ' ' ILE . 13.8 mmt180 -37.82 -62.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 72' ' ' GLU . 42.4 t80 -42.98 -44.42 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.03 -32.37 69.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.83 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.9 mt-10 -73.28 -54.11 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -41.93 -65.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -38.27 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -46.22 -69.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.48 112.09 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.76 -173.19 23.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.411 1.07 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.63 29.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.1 t -83.77 -57.36 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.1 p -144.11 115.88 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 61.81 155.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -168.68 -58.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -137.01 7.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.78 106.88 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -127.68 161.25 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.11 148.68 7.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -45.86 120.81 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.744 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mp -44.96 148.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -102.19 151.29 22.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.6 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 18.6 m-85 -56.15 173.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.89 58.64 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -136.73 117.57 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.842 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 mm -68.66 131.16 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 163.67 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -95.18 110.7 22.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -75.98 134.5 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 15.3 tttt -86.75 124.6 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.486 HD21 ' CG1' ' A' ' 17' ' ' VAL . 7.8 mt -106.44 -76.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.57 -74.87 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 173.42 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.74 36.31 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.81 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.749 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 58.8 m95 65.33 170.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.6 t-105 -152.1 132.99 7.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.64 163.34 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -127.69 136.67 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.9 mt -68.72 129.49 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.87 177.66 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.6 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 3.6 m-80 -99.96 155.58 36.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.42 15.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 5.8 mmm180 -81.57 -10.34 59.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -59.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 m -50.55 157.33 1.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.87 39.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -52.03 -39.67 59.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -41.29 -41.78 1.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.5 mm -79.5 -51.41 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' A' ' 37' ' ' LEU . 44.3 mt-30 -48.16 -28.57 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.66 81.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 46.0 mt -51.07 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.754 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.71 121.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -125.41 -76.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.4 168.35 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.5 -65.91 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -39.33 -81.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.28 142.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.744 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 p90 -133.71 164.08 46.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.96 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -125.76 151.28 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.8 t80 -107.17 123.74 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.1 m-85 -88.7 122.22 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 21.2 m-85 -70.53 167.55 18.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.07 -58.64 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.4 p -81.97 -48.3 11.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.3 m170 78.8 67.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -143.28 140.79 30.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 60.7 m-85 -96.3 147.59 23.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 50.2 m-85 -153.54 165.09 36.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 42' ' ' LEU . 75.8 m95 -113.26 126.49 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 27.3 m -146.75 131.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.546 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -51.35 -176.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' HB2' HD12 ' A' ' 9' ' ' LEU . 7.6 pt20 -106.85 152.64 23.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.72 -1.84 39.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.52 -15.45 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.66 146.68 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.9 m-85 -112.67 151.62 44.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.73 9.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -78.16 116.44 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.72 154.1 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -113.78 47.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -147.89 -62.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.7 t0 -40.25 99.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -94.97 -179.04 4.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t 67.5 73.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 26.9 p90 -136.04 -47.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 77' ' ' PHE . . . -150.91 -63.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 77' ' ' PHE . 15.0 mt-10 39.68 50.89 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 41.43 -162.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 82' ' ' THR . 1.2 tt0 -178.91 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.741 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 81' ' ' GLN . 14.1 t 43.31 27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' CG1' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -171.61 57.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 83' ' ' SER . 23.8 mt -153.2 101.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.72 96.83 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.64 -172.59 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 2.6 m -67.75 -39.35 84.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.092 ' CE2' HD11 ' A' ' 92' ' ' LEU . 36.3 t80 -42.36 -58.44 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.83 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -31.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -81.37 -56.86 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.092 HD11 ' CE2' ' A' ' 88' ' ' PHE . 54.8 mt -42.29 -49.12 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.1 mt-10 -63.93 -64.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.32 -55.39 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.39 -45.99 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -58.3 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.6 tttt -39.65 -66.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' A' ' 14' ' ' ILE . 34.7 mmt180 -38.22 -62.53 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 52.5 t80 -45.65 -38.16 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -76.41 -31.68 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.5 mt-10 -72.87 -54.73 7.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.7 mp -42.82 -60.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.43 72.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -96.04 79.55 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.64 94.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.81 157.38 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 85.77 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.2 87.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -59.8 122.43 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -125.02 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -78.13 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.57 62.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -82.05 104.95 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.3 84.6 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.07 -155.67 52.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -117.7 73.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 4.7 mt 59.96 177.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 15.0 m-70 -169.47 147.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 19.5 m-85 -44.84 166.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.9 mtmt 40.97 65.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -147.2 121.51 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.9 mm -73.6 127.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 69' ' ' PRO . 1.2 m -141.98 170.02 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -104.18 119.97 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.052 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -80.03 145.96 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.817 ' O ' HD23 ' A' ' 19' ' ' LEU . 12.5 tttt -95.4 125.34 39.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 18' ' ' LYS . 12.2 mt -125.84 -66.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.88 -45.5 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -91.04 153.91 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 39.42 50.34 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 52.92 179.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 10.8 m0 -66.53 177.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.788 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 t-105 -134.13 141.85 41.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 108.012 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.03 143.91 29.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.88 161.79 26.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -130.0 136.41 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.676 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.9 mt -69.32 128.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.26 174.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 5.3 m120 -92.78 157.8 39.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.03 -20.83 16.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.41 -10.11 52.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.51 -64.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -44.22 156.23 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.38 41.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -46.27 -32.83 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -46.67 -45.9 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 59' ' ' TYR . 18.1 mm -73.77 -41.97 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.637 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.2 mt-30 -52.82 -21.57 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.33 93.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 24.4 mt -49.31 -63.67 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 63.61 136.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' ASP . 14.8 t60 -176.72 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 39.08 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.8 mt 65.47 53.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 -31.43 8.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -89.44 140.79 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 p90 -131.61 164.25 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.34 13.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.5 m -137.02 166.01 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 71.5 t80 -124.34 122.9 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.052 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.4 m-85 -90.82 99.67 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 24.5 m-85 -48.24 168.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.16 -61.72 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.5 p -80.89 -41.24 23.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 11.3 m170 69.7 71.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.0 m-20 -147.75 139.52 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HG13 ' A' ' 39' ' ' ILE . 57.0 m-85 -96.98 141.3 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 65.4 m-85 -143.66 157.13 44.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -107.66 113.65 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.03 133.67 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' N ' ' OD2' ' A' ' 48' ' ' ASP . 48.8 p-80 -53.39 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -107.03 153.78 22.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.67 -0.73 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -112.33 -14.11 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 145.67 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.24 147.33 36.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.07 125.24 9.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -82.98 113.85 20.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 72' ' ' GLU . 82.2 t -85.61 167.76 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 99' ' ' PHE . 14.7 tp10 -130.03 84.44 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.06 56.31 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.86 -53.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.19 115.14 6.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.16 83.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 2.5 t80 -112.23 81.77 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . 179.53 77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -159.52 158.22 31.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.23 -151.66 22.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.35 137.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -40.97 -42.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.92 -63.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 mt 68.95 -67.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.78 -55.03 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 149.22 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.471 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.6 m -94.98 -52.62 4.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.967 ' CD2' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -42.2 -55.89 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.36 -44.17 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -62.86 -47.2 84.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.85 -40.39 97.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 88' ' ' PHE . 12.1 mt -57.57 -60.37 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -48.02 -60.2 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -54.85 11.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.61 -50.35 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.94 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -40.78 -64.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 36.3 mmt180 -37.67 -62.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CD2' ' OE1' ' A' ' 72' ' ' GLU . 45.6 t80 -44.64 -43.27 8.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.685 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -70.21 -31.91 69.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -73.21 -54.52 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.4 mp -42.95 -55.96 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.48 76.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -94.9 69.93 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.9 t -114.41 -66.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 153.0 42.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.08 33.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -175.67 140.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.88 126.94 44.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -167.7 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -82.39 162.82 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.68 -83.9 1.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -141.2 120.69 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -174.21 162.53 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.33 150.06 5.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 128.71 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.2 mp -40.33 145.8 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -98.46 144.55 27.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 32' ' ' PRO . 25.4 m-85 -50.84 176.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 39.85 61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -143.32 127.4 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.833 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -78.09 128.55 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ALA . 2.5 m -150.41 164.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -92.32 157.91 16.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 108.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.009 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -116.68 143.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD23 ' A' ' 19' ' ' LEU . 42.5 tptt -95.9 119.44 34.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 17' ' ' VAL . 5.5 mt -113.19 177.45 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.8 139.78 37.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.74 153.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 26.1 p90 -42.02 118.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 3.4 ttm-85 168.62 165.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 82.6 m95 -158.67 136.13 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.734 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.7 t-105 -124.54 141.11 36.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.99 142.76 28.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -158.32 162.43 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.833 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.9 tm-20 -127.62 128.47 45.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.642 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.9 mt -61.9 127.52 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -107.32 175.54 5.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.486 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.5 m120 -102.65 154.76 37.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.94 18.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -89.22 -15.7 33.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -86.76 -69.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -41.83 157.87 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.19 42.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.67 -38.55 6.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -42.27 -52.91 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.3 mm -67.38 -56.91 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 32' ' ' PRO . 51.2 mt-30 -39.18 -54.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.49 -36.24 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' CG2' ' A' ' 39' ' ' ILE . 10.0 mt -47.87 121.68 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 143.36 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.68 -170.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.49 163.87 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLY . 29.7 tp -60.35 -64.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -37.28 -62.69 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' GLY . 4.9 m-20 -39.25 132.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.3 p90 -125.29 158.12 65.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 137.72 22.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.8 m -136.37 142.26 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 57' ' ' HIS . 52.6 t80 -100.98 123.99 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.009 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.0 m-85 -88.84 114.77 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 33.2 m-85 -59.81 160.18 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.59 -56.21 2.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.02 -37.74 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 9.9 m170 64.48 67.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.624 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -146.76 143.54 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' ' 39' ' ' ILE . 71.4 m-85 -98.06 147.86 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 51.6 m-85 -154.38 152.3 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 76.6 m95 -98.32 115.7 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.97 137.53 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -169.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.572 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' CB ' HD12 ' A' ' 9' ' ' LEU . 4.1 pt20 -107.25 156.05 19.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.37 -28.54 14.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -84.0 -15.68 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.81 146.46 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -112.09 150.08 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.1 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -87.13 116.05 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 72' ' ' GLU . 4.6 t -85.78 168.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -119.55 -70.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.54 71.79 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.27 95.7 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 51.58 -178.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 p -168.43 103.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.82 -141.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.91 62.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.34 76.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.97 -166.19 30.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.93 138.38 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 t -73.54 164.08 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t -149.44 -67.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -172.07 126.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 24.2 t-20 76.73 -65.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? 60.43 109.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.501 HG22 ' CH2' ' A' ' 25' ' ' TRP . 23.7 m -94.37 -52.25 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 92' ' ' LEU . 34.6 t80 -44.17 -58.22 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.57 -40.0 68.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -66.04 -33.97 77.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -77.17 -42.52 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 88' ' ' PHE . 50.6 mt -52.96 -53.86 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -53.62 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.44 -52.75 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.63 -51.42 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.38 -59.46 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 4.4 mttt -40.07 -67.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.866 ' O ' HD22 ' A' ' 102' ' ' LEU . 24.8 mmt180 -40.78 -61.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 43.7 t80 -44.27 -36.58 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mm100 -79.41 -32.72 42.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' ARG . 5.6 mt-10 -72.43 -54.62 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -49.49 -55.03 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -63.27 -46.84 84.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.07 -51.92 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.15 96.52 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.74 -172.25 31.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.37 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.58 110.57 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -132.58 90.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -92.74 139.55 30.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.79 -58.82 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.92 139.63 9.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -155.64 136.66 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 66.57 145.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.26 -128.19 4.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 27.8 mttp 54.11 73.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.662 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 3.1 mt 62.32 132.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 13' ' ' GLN . 18.1 p80 -97.84 150.54 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 42.8 m-85 -55.66 175.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.6 mtmt 40.12 68.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 34.8 tt0 -149.08 126.4 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -74.56 124.18 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -146.35 166.52 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -92.51 164.06 13.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.005 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.6 p -127.32 130.3 70.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 tptt -81.9 124.42 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 18' ' ' LYS . 18.5 mt -120.18 -62.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.24 161.69 28.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.43 145.29 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 43.81 56.39 4.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 179.49 125.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CD1' ' C ' ' A' ' 23' ' ' ARG . 7.5 m95 -141.18 154.36 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.729 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.4 t-105 -127.94 136.26 28.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.85 167.46 26.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.862 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.8 tm-20 -132.98 124.77 28.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 88.5 mt -57.56 127.77 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 168.19 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.517 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -99.81 159.9 28.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -34.57 3.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -15.82 63.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -60.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 32' ' ' PRO . 33.6 m -50.51 157.63 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.01 36.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.1 mm? -41.24 -41.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 10.3 t-20 -40.64 -48.37 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm -71.67 -54.9 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' HD13 ' A' ' 37' ' ' LEU . 47.7 mt-30 -42.36 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.29 -32.96 7.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HG23 ' A' ' 39' ' ' ILE . 17.9 mt -50.72 122.92 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -90.39 124.31 34.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -152.94 177.65 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.33 178.45 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 8.3 mt -70.37 -69.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.18 -62.11 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.37 121.86 1.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.662 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 5.6 p90 -118.65 160.08 41.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.05 131.05 13.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 29' ' ' ILE . 18.0 m -131.61 141.5 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 56.8 t80 -100.0 123.45 44.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.005 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.9 m-85 -89.25 117.55 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.6 m-85 -64.44 164.77 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.95 -55.94 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.2 p -84.91 -48.5 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.0 m170 79.31 72.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -149.55 141.55 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' ILE . 64.9 m-85 -96.45 145.82 25.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.0 m-85 -152.09 151.86 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 80.8 m95 -99.93 104.89 16.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.86 135.96 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 35.9 p-80 -57.93 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HD3' ' A' ' 8' ' ' LYS . 4.8 pt20 -107.2 152.29 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.6 -24.3 17.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mtt180 -89.62 -13.73 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.82 141.76 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -113.18 151.13 43.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.02 8.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.1 t80 -88.61 129.51 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 4.5 m -102.89 179.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.7 tm-20 -122.71 -72.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.22 90.83 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.02 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -139.57 151.67 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.07 157.4 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.42 -49.42 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.54 -61.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -136.34 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.34 -153.05 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 154.32 17.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.7 p 37.31 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 m -90.99 -58.53 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 tp -172.96 147.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -92.95 94.33 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -145.93 176.92 9.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.65 HG22 ' CH2' ' A' ' 25' ' ' TRP . 5.9 m -49.39 -44.98 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.433 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.978 ' CE2' HD11 ' A' ' 92' ' ' LEU . 24.9 t80 -41.74 -57.45 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -49.14 -53.52 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -41.32 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -57.25 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.978 HD11 ' CE2' ' A' ' 88' ' ' PHE . 43.1 mt -43.34 -55.27 4.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 5.8 mt-10 -54.63 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -54.24 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.59 -44.47 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.15 -60.1 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -41.36 -66.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 14' ' ' ILE . 25.9 mmt180 -39.84 -61.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 60.2 t80 -46.09 -35.44 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.688 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.5 mm-40 -80.24 -32.19 38.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.74 -54.67 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mp -43.71 -52.81 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.21 66.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -99.01 71.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -68.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.43 3.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.3 40.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.08 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.074 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 p -160.87 127.66 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.57 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -58.91 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.84 145.55 9.93 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m 67.99 125.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -62.77 150.39 41.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -74.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -95.69 33.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD11 HG22 ' A' ' 67' ' ' VAL . 6.2 mt 56.43 -174.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.11 154.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 32' ' ' PRO . 17.7 m-85 -52.29 168.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER 40.06 63.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -145.38 130.32 18.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -82.09 126.79 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.6 m -147.68 166.86 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 91.9 m95 -92.43 163.97 13.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 108.008 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 9.9 p -126.35 145.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.91 121.7 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.687 HD21 HG13 ' A' ' 17' ' ' VAL . 1.8 mt -115.09 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.65 -76.09 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -60.02 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -88.22 141.62 28.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 19.1 mtt85 -38.83 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 18' ' ' LYS . 29.8 m95 -149.9 148.65 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.759 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.2 t-105 -118.19 141.67 29.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -74.97 141.18 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.6 160.9 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 14' ' ' ILE . 16.5 tt0 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 9' ' ' LEU . 85.7 mt -70.3 126.85 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.09 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 4.2 m120 -96.37 156.68 36.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 -20.21 16.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -85.35 -11.45 54.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -90.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 m -42.93 157.65 0.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.43 42.66 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.15 -33.4 12.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -46.95 -49.91 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.638 HG23 HD12 ' A' ' 42' ' ' LEU . 12.9 mm -70.69 -52.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -42.25 -47.38 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.34 -34.02 12.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HG23 ' A' ' 39' ' ' ILE . 27.6 mt -49.31 129.34 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 149.76 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.85 -167.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.13 -173.32 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.89 177.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.24 -66.11 0.23 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.7 m-20 -41.42 114.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.3 p90 -114.15 162.97 20.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.66 16.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' TYR . 5.8 m -137.37 151.21 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.616 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 65.3 t80 -113.11 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.843 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -88.29 122.51 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 41.1 m-85 -67.62 162.83 22.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.42 -60.0 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -80.11 -48.81 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.616 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 5.8 m170 78.37 66.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 6.6 m-20 -143.24 142.58 31.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' HG13 ' A' ' 39' ' ' ILE . 67.6 m-85 -96.29 146.12 25.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.5 m-85 -152.13 153.05 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 92.2 m95 -99.9 110.09 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.6 m -129.31 136.81 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -59.62 -173.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -107.29 154.64 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.32 -6.56 50.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -103.5 -11.81 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.334 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.673 HG22 HD11 ' A' ' 9' ' ' LEU . 1.5 m -104.44 147.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -115.55 151.75 46.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.72 8.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -81.31 122.03 26.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -88.79 157.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.5 tm-20 -111.47 95.79 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 82.98 1.01 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -49.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -50.54 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m 53.52 82.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -175.25 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.43 79.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -125.09 -60.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.2 125.43 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.64 -67.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.3 p -136.91 81.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -80.56 90.65 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 6.0 mt -128.63 97.51 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 4.1 t-20 81.4 -54.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 123.99 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.686 HG22 ' CH2' ' A' ' 25' ' ' TRP . 2.4 m -74.1 -47.23 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 92' ' ' LEU . 39.6 t80 -47.91 -57.46 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 92' ' ' LEU . 10.3 mttt -55.64 -39.19 70.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.6 -36.5 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 88' ' ' PHE . 42.0 mt -60.04 -48.32 82.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.64 -58.73 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.91 -55.79 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.18 -50.1 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.96 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -41.24 -66.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.0 mmt-85 -41.21 -61.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 53.5 t80 -43.44 -36.92 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.4 mm100 -79.32 -33.78 42.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -71.64 -54.44 10.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.7 mp -42.78 -57.85 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -44.44 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -92.37 67.44 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -155.65 150.69 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.59 -86.35 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 99.66 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.26 147.83 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.948 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.5 t -68.18 -56.19 9.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.76 95.66 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 106.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 127.3 2.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -107.68 109.91 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.93 113.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.43 -146.93 16.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -53.26 120.71 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.5 mt -59.38 137.54 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -99.28 154.67 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 20.8 m-85 -56.48 176.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 102' ' ' LEU . 3.5 mmpt? 40.4 67.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -152.36 122.97 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.758 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.3 mm -75.82 128.23 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 2.3 m -147.36 165.86 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 89.4 m95 -92.36 159.96 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 107.987 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.098 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.2 p -122.13 147.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' C ' HD23 ' A' ' 19' ' ' LEU . 14.4 tttt -102.8 120.63 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD21 HG13 ' A' ' 17' ' ' VAL . 5.9 mt -104.8 -63.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 -173.56 26.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -46.39 123.63 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 43.43 72.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -169.79 85.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' ' CE2' ' A' ' 68' ' ' PHE . 79.3 m95 -106.1 140.82 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.818 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.6 t-105 -130.14 142.35 45.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.13 162.62 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.758 ' HB2' HD13 ' A' ' 14' ' ' ILE . 21.2 tt0 -129.26 132.9 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' TYR . 96.4 mt -70.93 129.13 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.7 m -114.96 -174.64 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.649 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.8 m120 -105.84 156.34 36.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 -22.39 14.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -84.54 -11.41 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.75 -52.0 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.92 157.24 16.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.95 33.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.38 -33.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -45.29 -50.39 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 11.1 mm -70.78 -47.61 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.552 ' HB2' HD13 ' A' ' 37' ' ' LEU . 72.4 mt-30 -51.81 -24.11 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.74 72.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 40.0 mt -53.29 133.17 39.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 138.31 32.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' NE2' ' CZ3' ' A' ' 61' ' ' TRP . 33.2 p-80 -162.65 -177.87 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.74 172.24 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.18 89.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.18 -75.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.51 167.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.6 p90 -142.41 161.15 51.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.96 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 HG12 ' A' ' 29' ' ' ILE . 10.3 m -129.67 146.7 33.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 77.0 t80 -109.31 123.65 49.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.098 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -87.83 120.3 29.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 45.2 m-85 -65.3 165.12 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.69 -60.42 4.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 10.1 t -81.75 -51.74 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 m170 83.37 68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-20 -144.13 143.13 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 79.1 m-85 -96.34 146.19 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 47.4 m-85 -151.77 157.05 41.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 89.9 m95 -104.38 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.43 140.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' NE2' ' HD2' ' A' ' 66' ' ' ARG . 5.5 p80 -62.7 -164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.536 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.88 156.05 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.0 -0.27 56.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HD2' ' NE2' ' A' ' 63' ' ' HIS . 3.9 mtt180 -111.2 -16.16 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -104.23 137.84 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.686 ' CE2' ' CH2' ' A' ' 24' ' ' TRP . 19.2 m-85 -110.87 156.74 40.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -83.0 113.57 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 72' ' ' GLU . 21.8 t -77.51 168.59 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.96 -65.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.29 69.71 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.69 -66.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 t -89.39 163.97 15.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -38.5 -74.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 77' ' ' PHE . . . 86.11 135.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 9.5 mt-10 -34.11 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -51.75 -71.79 0.61 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.55 112.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t -94.62 141.74 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.61 152.7 23.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -48.93 -30.74 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -157.97 144.39 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -170.68 150.3 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.1 m -75.53 -41.08 55.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.936 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.8 t80 -46.97 -63.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -51.19 -34.99 34.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -70.52 -39.31 74.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.72 69.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 88' ' ' PHE . 31.7 mt -63.16 -51.94 64.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.5 mt-10 -59.48 -49.27 78.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.57 -54.88 38.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.28 -40.16 16.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.59 -59.66 5.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -38.03 -69.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -38.82 -61.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 38.1 t80 -47.79 -36.01 11.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.2 mm-40 -77.26 -30.9 54.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.4 mt-10 -72.99 -54.66 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD11 ' HE2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -42.57 -66.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -34.61 19.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -55.29 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -74.56 95.06 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.32 -175.09 21.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.04 26.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.5 m -94.02 127.29 39.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 t -96.51 -58.41 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.55 121.24 41.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 153.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 -135.9 7.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -95.41 106.96 19.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -121.0 145.83 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.67 -100.22 2.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -106.47 135.48 47.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.2 mt -42.5 128.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -80.74 -174.4 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.669 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 17.7 m-85 -86.31 172.84 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.58 64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -140.01 115.42 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.7 mm -68.0 125.97 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -139.96 166.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.543 ' CE2' ' CD2' ' A' ' 77' ' ' PHE . 73.6 m95 -102.89 109.35 20.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.16 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 p -69.25 141.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.752 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.3 ttpt -88.9 120.98 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 18' ' ' LYS . 15.5 mt -122.7 -75.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' TYR . . . 110.29 169.65 19.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 70.11 -61.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -113.02 53.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.66 178.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 11.0 m0 -79.62 178.13 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.802 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.2 t-105 -136.09 140.33 32.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 107.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.1 Cg_endo -75.07 143.75 29.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.42 161.09 32.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.734 ' HB2' HD13 ' A' ' 14' ' ' ILE . 13.8 tt0 -131.04 129.38 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 49' ' ' PHE . 42.3 mt -61.67 136.7 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.46 176.31 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 108.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.482 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 4.3 m120 -97.43 158.87 32.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.93 -19.78 17.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.064 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -86.31 -8.6 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -64.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.4 m -44.69 157.52 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 150.13 37.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.32 -34.42 2.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -44.35 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -77.77 -53.22 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -45.1 -39.32 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.59 -31.82 52.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 39' ' ' ILE . 27.5 mt -49.52 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 tptt 65.25 114.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 45' ' ' ASP . 4.1 t60 -93.65 -61.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -165.04 -68.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -164.91 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -38.43 -59.69 1.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -39.52 132.79 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 29' ' ' ILE . 12.0 p90 -121.84 155.68 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -74.97 134.78 18.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 29' ' ' ILE . 8.9 m -137.33 149.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 47.1 t80 -112.2 123.31 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.16 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 6.8 m-85 -89.55 117.63 28.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 26.4 m-85 -65.42 164.4 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.22 -62.39 2.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.7 p -80.74 -36.9 31.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 53.6 m170 66.07 67.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.562 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -138.84 138.17 37.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG13 ' A' ' 39' ' ' ILE . 74.6 m-85 -96.74 146.31 25.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 51.1 m-85 -154.19 153.43 31.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.4 m95 -101.97 137.94 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 61' ' ' TRP . 8.6 m -153.15 129.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 3.3 p80 -43.64 -92.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 pt20 -168.21 169.67 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.93 3.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -19.58 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.34 144.7 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' CD2' ' HD2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -113.5 153.05 45.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.06 128.65 11.61 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -93.71 129.64 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 163.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -111.06 -58.49 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.95 90.57 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.15 -53.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.48 165.88 29.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.8 p -119.49 155.44 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.543 ' CD2' ' CE2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -103.37 -49.7 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLU . . . -145.75 -65.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' ALA . 10.4 mt-10 38.83 74.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.65 172.39 42.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 139.93 31.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -121.01 151.74 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -43.9 130.75 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER 47.89 -174.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -49.97 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tptm 72.07 122.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -53.85 -40.6 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.943 ' CE2' HD11 ' A' ' 92' ' ' LEU . 23.6 t80 -40.51 -56.85 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -60.37 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -45.1 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.31 -59.24 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.7 mt -40.16 -55.69 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 6.9 mt-10 -59.79 -66.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.11 -57.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -44.38 -49.93 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.75 -59.7 4.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -39.17 -66.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 14' ' ' ILE . 22.9 mmt180 -39.64 -62.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' GLU . 56.5 t80 -49.31 -32.77 11.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 2.9 mm-40 -79.26 -30.24 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.7 mt-10 -73.85 -54.48 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 12' ' ' LYS . 6.2 mp -43.08 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -49.25 62.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -44.8 -66.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER 80.43 159.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 121.75 6.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.24 132.46 55.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.5 p -104.57 87.29 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -46.11 110.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m 63.03 127.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.95 -135.31 7.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -152.25 165.96 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.24 165.43 18.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.28 -137.59 4.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -96.67 32.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 29' ' ' ILE . 3.5 mt 63.52 -175.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -172.42 -88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CG ' ' OD1' ' A' ' 31' ' ' ASN . 14.4 m-85 -155.03 166.0 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 41.32 63.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -143.66 127.8 17.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.8 mm -77.45 131.23 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 1.9 m -147.96 170.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -101.75 113.57 26.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 107.968 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -76.09 134.08 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 4.8 tptt -91.44 124.99 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.535 HD21 ' CG1' ' A' ' 17' ' ' VAL . 11.6 mt -105.51 60.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 -71.02 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' LEU . 3.1 m-20 179.43 77.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.789 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.0 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 54.98 106.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 18' ' ' LYS . 31.6 m95 -64.57 144.65 57.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' VAL . 14.4 t-105 -117.93 132.05 23.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.02 37.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.65 164.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.811 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.5 tm-20 -132.07 128.93 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 9' ' ' LEU . 56.1 mt -59.25 135.19 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.13 169.54 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 11' ' ' TYR . 28.5 m-80 -93.66 157.34 38.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 -18.04 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -84.28 -25.69 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.17 -66.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 m -41.43 157.99 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.83 33.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -23.49 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -15.04 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 59' ' ' TYR . 12.8 mm -99.33 -34.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -58.94 -51.02 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.34 1.04 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 36.4 mt -53.13 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.67 143.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -149.14 -149.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 167.09 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 161.39 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.89 -61.06 4.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' A' ' 63' ' ' HIS . 1.5 m-20 -45.46 143.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE1' HG12 ' A' ' 29' ' ' ILE . 1.8 p90 -139.01 163.24 47.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.06 131.6 14.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.6 m -134.74 145.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 67.0 t80 -101.61 123.39 45.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.0 m-85 -87.26 114.84 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 22.7 m-85 -62.74 169.01 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 73.36 -60.61 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 -44.62 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.753 . . . . 0.0 110.047 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.62 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 7.5 m170 76.42 73.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -147.28 141.53 26.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 69.6 m-85 -96.37 148.25 22.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 49.0 m-85 -154.73 153.42 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 91.5 m95 -101.37 103.07 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.33 142.47 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' CA ' ' OD2' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -56.48 177.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -107.18 154.91 20.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.18 -24.66 30.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 1.9 mmt180 -83.55 -7.56 59.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -99.39 148.8 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -110.19 145.63 32.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -85.66 123.3 30.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 72' ' ' GLU . 22.5 t -94.27 165.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -118.88 -59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.38 87.11 0.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -175.46 130.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.66 168.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.49 141.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 92.5 m-85 -120.79 -49.76 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 77' ' ' PHE . . . 169.08 134.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.365 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 78' ' ' ALA . 9.5 mt-10 -33.67 114.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.97 135.22 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 82' ' ' THR . 18.1 mt-30 -128.1 89.2 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 81' ' ' GLN . 11.4 t 45.34 -167.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -117.57 85.52 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.9 mt -139.47 131.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -45.56 148.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -174.79 148.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.4 m -62.27 -48.78 78.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.845 ' CD2' HD11 ' A' ' 92' ' ' LEU . 27.6 t80 -45.47 -54.82 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -54.74 -41.17 70.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.22 -38.56 91.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -72.18 -40.11 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.845 HD11 ' CD2' ' A' ' 88' ' ' PHE . 18.2 mt -58.63 -51.51 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.93 -50.93 72.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -53.12 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -48.71 -37.53 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.64 -57.05 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -43.1 -64.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' CB ' HD11 ' A' ' 14' ' ' ILE . 26.3 mmt180 -38.99 -61.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 t80 -45.59 -39.79 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -74.51 -30.85 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 2.7 mt-10 -74.67 -54.18 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.3 mp -42.13 -64.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.67 54.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -52.86 -59.12 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 t 65.25 132.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.44 159.98 23.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.79 25.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m 60.89 156.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m -85.94 92.41 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.34 82.45 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.75 145.72 55.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -166.25 13.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -167.51 127.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -145.82 97.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 -154.4 25.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -41.28 125.9 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mt -69.34 173.68 5.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.79 150.55 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 23.3 m-85 -51.73 171.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.69 63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -147.41 125.75 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.918 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.4 mm -77.35 124.42 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -144.83 166.16 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 98.5 m95 -92.3 156.57 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 8.9 p -116.65 144.63 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.702 ' C ' HD23 ' A' ' 19' ' ' LEU . 2.5 ttpt -97.22 122.2 39.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 17' ' ' VAL . 3.5 mt -119.74 92.05 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.25 -114.64 4.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.75 99.84 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -178.89 -64.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 166.35 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -109.87 164.05 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.829 ' O ' HG12 ' A' ' 17' ' ' VAL . 32.6 t-105 -136.13 142.31 39.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.4 Cg_endo -74.94 142.82 28.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -160.46 160.79 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.918 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -128.08 130.06 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.843 ' HA ' HG12 ' A' ' 51' ' ' VAL . 96.7 mt -63.62 126.89 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 175.34 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.643 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 5.2 m120 -97.48 157.46 34.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -18.69 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -87.14 -19.18 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' VAL . 4.0 t -82.82 -66.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 50' ' ' PRO . 14.5 m -40.39 157.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.55 41.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -47.67 -33.25 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -47.72 -46.72 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 59' ' ' TYR . 9.4 mm -75.0 -51.44 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -48.26 -32.78 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.18 -22.32 60.58 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 8.9 mt -67.22 136.86 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.59 122.87 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -101.02 -165.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -113.27 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -164.2 97.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 130.89 -65.06 0.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.32 137.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 1.1 p90 -126.1 165.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.04 123.54 7.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 29' ' ' ILE . 26.1 m -129.77 169.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 72.6 t80 -126.72 122.62 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.955 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 4.6 m-85 -89.76 106.86 18.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -55.21 167.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 77.11 -62.27 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 73.8 p -80.49 -47.68 13.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.3 m170 80.19 68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.7 m-20 -147.99 142.97 26.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 39' ' ' ILE . 68.2 m-85 -97.13 150.15 21.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 67.8 m-85 -153.89 149.38 27.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.492 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 93.5 m95 -97.64 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 20.6 m -129.42 129.54 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -49.9 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.557 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.68 139.72 40.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.26 -6.0 10.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -107.0 -8.01 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 16' ' ' TRP . 1.4 m -100.3 150.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.64 151.41 54.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.06 9.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -81.46 118.15 22.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.6 t -86.33 159.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 8.2 tm-20 -117.91 76.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 162.55 -59.94 0.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 113.04 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.68 120.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' A' ' 78' ' ' ALA . 51.9 p90 -169.48 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' N ' ' CD2' ' A' ' 77' ' ' PHE . . . -156.64 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -126.03 -72.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.02 -145.62 5.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -144.79 114.6 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 11.5 t -107.16 67.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t 66.28 -72.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' THR . 43.2 mm -41.11 137.14 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.6 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.77 134.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.573 HG22 ' CH2' ' A' ' 25' ' ' TRP . 3.1 m -63.72 -48.64 76.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 92' ' ' LEU . 43.7 t80 -42.82 -52.6 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.0 tttm -58.69 -41.88 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -61.91 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.875 HD11 ' CE2' ' A' ' 88' ' ' PHE . 12.4 mt -55.56 -55.66 29.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.0 mt-10 -52.61 -56.35 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.6 -52.99 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.01 -42.46 8.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -60.8 -59.98 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ALA . 3.1 tptt -39.94 -65.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 14' ' ' ILE . 14.2 mmt180 -38.6 -61.8 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 48.8 t80 -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.2 mm100 -74.48 -32.34 62.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.1 mt-10 -72.54 -54.78 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.52 -56.02 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -33.33 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -96.07 69.3 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 m 65.25 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.034 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.03 28.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.8 p 45.97 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.57 158.18 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -103.17 169.94 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 140.88 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 -87.7 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 167.74 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.21 133.06 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 63.58 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.44 111.13 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.1 mp -47.35 147.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.15 148.06 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CD2' ' ND2' ' A' ' 31' ' ' ASN . 17.5 m-85 -48.24 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.9 OUTLIER 40.32 61.34 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -144.37 122.28 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -73.46 131.98 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.0 m -152.61 165.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -92.34 153.95 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 7.1 p -116.93 137.68 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -92.77 120.74 33.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.911 HD21 HG13 ' A' ' 17' ' ' VAL . 1.3 mt -112.91 -75.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.08 -168.76 19.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -56.77 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -122.45 84.35 2.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.5 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -91.7 164.2 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.897 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.9 t-105 -140.81 141.56 25.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.3 Cg_endo -75.05 142.81 28.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.91 157.6 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.72 ' HB2' HD13 ' A' ' 14' ' ' ILE . 22.6 tt0 -125.64 125.97 43.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' A' ' 51' ' ' VAL . 94.5 mt -57.48 130.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.6 m -115.67 176.54 5.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 108.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.647 ' ND2' ' CD2' ' A' ' 11' ' ' TYR . 2.4 m120 -101.56 156.78 34.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.91 -18.47 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -84.04 -13.08 54.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 59' ' ' TYR . 21.3 m -41.63 157.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.18 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -41.53 -41.71 2.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -41.32 -44.97 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 42' ' ' LEU . 12.1 mm -74.38 -53.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 37' ' ' LEU . 74.8 mt-30 -43.91 -43.87 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.63 -32.56 32.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD12 HG23 ' A' ' 39' ' ' ILE . 28.1 mt -49.8 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.81 136.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -140.74 -66.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -170.76 166.15 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -48.37 -70.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.56 -78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.73 121.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.655 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.4 p90 -119.18 163.03 28.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 29' ' ' ILE . 22.5 m -130.38 144.86 36.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 57.0 t80 -103.64 123.48 47.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.2 m-85 -89.05 121.9 31.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 36.2 m-85 -67.59 168.22 11.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 -58.94 1.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.63 -48.09 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.617 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 6.3 m170 77.38 70.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.9 m-20 -143.8 140.05 29.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' HB3' HG21 ' A' ' 39' ' ' ILE . 79.0 m-85 -96.5 143.44 27.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 55.8 m-85 -150.09 152.28 34.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 88.0 m95 -98.51 90.6 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 m -104.11 140.22 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -58.95 179.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.01 151.1 25.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.85 -16.34 56.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 2.0 mtt-85 -91.02 -11.16 39.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.51 151.27 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.2 m-85 -115.88 150.52 45.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.67 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 9.5 t80 -84.05 120.84 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 10.9 m -88.26 178.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 4.8 tm-20 -129.88 121.04 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASP . . . 90.52 -67.33 2.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' GLY . 3.3 t70 -39.92 -45.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.04 119.89 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 98.29 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -177.41 -51.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -47.29 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -39.25 144.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.76 -154.37 25.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 60.32 159.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 t -140.59 138.95 34.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.679 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER 55.55 172.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 83' ' ' SER . 3.4 mp 60.74 106.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -69.47 139.47 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -132.16 131.32 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 4.3 m -44.52 -48.98 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.881 ' CE2' HD11 ' A' ' 92' ' ' LEU . 35.3 t80 -45.94 -56.81 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -53.9 -41.12 67.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.38 -39.9 92.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.39 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.881 HD11 ' CE2' ' A' ' 88' ' ' PHE . 36.0 mt -57.67 -54.4 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 10.5 mt-10 -56.61 -55.5 33.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -55.01 18.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . . . -47.62 -39.79 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -65.07 -58.96 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -40.73 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 14' ' ' ILE . 11.5 mmt180 -40.32 -62.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 67.7 t80 -44.55 -36.2 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -78.64 -33.93 46.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.813 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.0 mt-10 -71.03 -54.73 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 12' ' ' LYS . 7.2 mp -41.52 -64.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -34.79 51.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 101' ' ' GLU . . . -53.03 -66.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 1.9 t 84.46 -64.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.8 -173.77 19.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.07 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.18 88.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 124.2 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 111.02 179.98 . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 179.74 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.11 163.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.45 137.28 9.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -150.84 111.75 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.93 164.39 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.8 59.82 3.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -120.54 117.56 27.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.2 mt -72.2 138.47 47.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -109.31 156.58 19.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HA ' HG22 ' A' ' 29' ' ' ILE . 23.4 m-85 -55.51 172.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER 39.97 62.92 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.1 127.09 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 28' ' ' GLU . 2.8 mm -77.96 124.97 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -143.0 167.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.1 156.58 16.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -119.79 136.88 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.4 ttpp -93.39 124.19 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' LYS . 19.2 mt -117.74 90.23 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 -105.32 2.88 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -124.55 -62.25 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 23' ' ' ARG . 30.9 p90 -95.85 179.08 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 22' ' ' TYR . 4.3 mtp180 61.13 140.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 18' ' ' LYS . 68.5 m95 -133.96 160.36 37.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CZ2' HG22 ' A' ' 87' ' ' THR . 23.5 t-105 -138.98 138.05 20.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 25' ' ' TRP . 18.2 Cg_endo -75.02 142.16 27.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' VAL . . . -157.32 159.62 37.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HB2' HD13 ' A' ' 14' ' ' ILE . 8.3 tt0 -127.08 135.47 50.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.1 mt -71.34 125.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.9 176.85 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.31 156.6 35.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -18.72 18.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -24.98 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -80.59 -63.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -43.12 157.52 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 153.7 42.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -47.61 -37.31 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -43.06 -52.15 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 59' ' ' TYR . 10.8 mm -67.11 -54.96 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -41.96 -48.67 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.62 -35.93 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 39' ' ' ILE . 25.0 mt -45.06 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -100.53 127.81 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.576 ' CD2' ' CZ3' ' A' ' 61' ' ' TRP . 2.5 p-80 -146.88 174.5 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -132.81 168.03 19.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.57 157.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.86 -79.0 1.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.91 147.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.682 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 4.1 p90 -143.32 161.16 49.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.16 11.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 29' ' ' ILE . 19.1 m -128.38 151.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 42.5 t80 -111.11 123.5 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.889 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 5.7 m-85 -90.0 123.26 33.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 46.0 m-85 -68.44 164.41 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.71 -61.02 4.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 64.3 p -81.29 -50.63 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.4 m170 81.53 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.2 m-20 -139.55 141.01 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HG13 ' A' ' 39' ' ' ILE . 70.1 m-85 -96.41 144.26 26.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.6 m-85 -148.72 151.7 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.576 ' CZ3' ' CD2' ' A' ' 44' ' ' HIS . 91.1 m95 -98.86 96.98 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 107.98 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.9 m -116.15 133.72 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 3.5 p-80 -55.14 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HB2' HD12 ' A' ' 9' ' ' LEU . 9.5 pt20 -108.02 153.67 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.84 -15.59 44.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 63' ' ' HIS . 5.3 mmt-85 -94.02 -11.92 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 m -103.55 150.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.17 153.21 49.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.44 8.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 1.6 t80 -86.53 139.57 30.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.603 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 1.9 m -119.91 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 126.82 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.91 90.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.96 92.55 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 51.81 56.1 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.62 162.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -98.15 -51.88 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.1 -55.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 110.14 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.56 170.99 17.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 39.01 72.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -168.38 154.44 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.72 145.6 52.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.593 HG22 ' HG2' ' A' ' 89' ' ' LYS . 1.1 pp -101.52 132.7 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -165.02 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 157.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.618 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 3.9 m -59.71 -44.85 93.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -45.98 -61.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.0 mptt -49.19 -43.84 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.24 -36.77 78.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 54' ' ' PHE . . . -73.43 -42.62 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 89' ' ' LYS . 6.5 mt -55.11 -46.86 75.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 mt-10 -59.25 -58.25 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.79 -54.42 19.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.662 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -47.49 -41.09 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -61.09 -60.33 3.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.45 -69.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 14' ' ' ILE . 25.0 mmt180 -39.41 -61.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -46.64 -38.26 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LYS . 4.0 mm-40 -75.72 -32.67 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' ALA . 3.2 mt-10 -71.2 -53.23 15.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 12' ' ' LYS . 2.6 mp -45.32 -64.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -54.05 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -98.33 77.8 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 t -129.99 -60.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.24 145.83 8.75 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.97 4.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -118.37 107.88 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.9 t -148.6 128.72 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.37 -59.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.03 158.6 30.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.03 138.95 5.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.59 97.9 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -160.26 155.2 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 83.83 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -110.29 30.77 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.73 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.661 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 10.7 mt 68.54 163.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.4 p80 -166.32 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 9.3 m-85 -158.18 163.26 37.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG3' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 40.35 63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 34.4 tt0 -140.11 127.04 20.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.0 mm -77.05 128.22 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -142.76 172.26 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -103.74 109.15 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.018 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.718 ' CG1' HD21 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -70.83 130.44 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.4 125.32 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' CG1' ' A' ' 17' ' ' VAL . 15.3 mt -112.81 -170.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.45 116.89 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.17 -177.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 50.03 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -66.44 170.17 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 18' ' ' LYS . 9.9 m0 -85.11 -178.22 6.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 17.3 t-105 -139.06 131.59 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.2 35.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . . . -163.05 168.07 21.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.863 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -136.11 136.3 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 9' ' ' LEU . 88.5 mt -65.97 130.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.88 169.84 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 3.0 m120 -94.93 156.37 38.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 -20.39 16.97 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -78.28 -25.28 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -67.51 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -41.94 156.87 0.22 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.0 41.91 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -51.65 -44.31 62.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LEU . 23.1 t-20 -40.54 -34.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 12.5 mm -82.82 -56.41 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.518 ' HB2' HD13 ' A' ' 37' ' ' LEU . 75.6 mt-30 -42.51 -45.26 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.24 -30.52 5.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 6.4 mt -56.19 123.38 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -80.97 153.31 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -137.12 -165.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.631 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 70.3 m-20 -125.51 -67.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.45 139.93 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 77.84 -53.24 3.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.3 m-20 -39.3 119.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.661 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 3.0 p90 -120.43 162.22 35.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.01 129.8 12.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 29' ' ' ILE . 10.9 m -130.8 144.42 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -101.89 123.79 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.5 m-85 -87.67 123.03 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 19.5 m-85 -70.87 166.37 21.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.11 -60.46 3.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.9 t -82.8 -52.1 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 m170 85.76 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 m-20 -142.8 139.36 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 71.0 m-85 -97.19 146.59 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 41.5 m-85 -155.56 160.73 40.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 71.0 m95 -107.08 108.67 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.32 141.47 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -58.56 -176.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.76 144.22 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.21 -12.04 33.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HD3' ' CD2' ' A' ' 63' ' ' HIS . 1.5 mpt_? -94.82 -15.1 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.71 148.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -111.95 148.71 39.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 110.972 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.53 9.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.578 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 5.6 t80 -87.76 128.14 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 74' ' ' ASP . 16.7 m -97.39 168.34 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -116.22 70.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.69 70.9 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB3' HG21 ' A' ' 71' ' ' VAL . 3.7 t0 -177.16 131.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.85 60.4 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -87.33 103.78 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.48 -65.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.58 63.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -144.4 144.75 31.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.28 -141.55 8.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.47 149.93 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.1 p -76.37 153.88 35.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.625 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -168.81 126.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER 48.65 -175.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -122.54 147.57 46.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.28 132.55 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -39.23 -50.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.889 ' CE2' HD11 ' A' ' 92' ' ' LEU . 38.0 t80 -38.37 -50.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -52.29 -58.52 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -39.88 -40.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 88' ' ' PHE . . . -71.01 -55.99 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD11 ' CE2' ' A' ' 88' ' ' PHE . 46.9 mt -44.72 -49.37 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.98 -62.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.15 -55.3 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -42.8 -50.89 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -56.17 -59.96 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' GLN . 2.3 tptt -40.06 -66.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.595 ' CB ' HD11 ' A' ' 14' ' ' ILE . 37.6 mmt180 -38.29 -62.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 72' ' ' GLU . 46.5 t80 -46.35 -37.72 7.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.9 mm100 -75.99 -31.53 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.83 -54.61 8.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.712 HD11 ' HG3' ' A' ' 12' ' ' LYS . 2.9 mp -43.4 -65.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.48 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.81 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t 42.65 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.57 175.38 13.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.39 40.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m 47.81 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.0 t -82.35 138.25 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 141.62 48.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -131.4 144.76 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 88.63 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.23 129.13 15.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.064 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -123.1 -59.58 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 -97.05 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -55.49 117.34 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD13 ' HZ ' ' A' ' 49' ' ' PHE . 1.3 mp -53.93 151.17 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -111.72 142.78 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' OD1' ' A' ' 31' ' ' ASN . 47.8 m-85 -45.26 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER 45.73 59.72 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -141.92 123.43 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.4 mm -74.58 132.55 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.14 172.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -101.48 123.12 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.68 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.82 136.32 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -97.37 122.98 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.12 -70.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.49 -76.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.68 -172.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.28 53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -104.88 -50.01 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.3 m95 63.9 133.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' CZ2' HG22 ' A' ' 87' ' ' THR . 17.1 t-105 -131.72 133.56 24.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.67 35.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.76 162.0 23.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.704 ' HB2' HD13 ' A' ' 14' ' ' ILE . 19.1 tt0 -128.93 127.24 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' TYR . 59.2 mt -57.73 135.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.16 169.6 11.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 108.321 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.587 ' OD1' ' CE2' ' A' ' 11' ' ' TYR . 8.4 m-80 -94.26 162.09 27.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 18.3 Cg_endo -74.95 -19.87 17.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -81.71 -23.6 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -47.03 158.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.71 42.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -49.34 -40.84 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -43.06 -42.61 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' CG2' HD12 ' A' ' 42' ' ' LEU . 12.6 mm -76.09 -52.59 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 37' ' ' LEU . 62.8 mt-30 -44.65 -46.93 10.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.14 -29.93 7.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 39' ' ' ILE . 14.1 mt -55.61 133.52 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -95.04 141.21 28.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.81 -172.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.627 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.07 173.02 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -62.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.2 -74.18 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.55 123.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.608 ' HZ ' HD13 ' A' ' 9' ' ' LEU . 2.0 p90 -117.07 163.34 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.96 130.6 13.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 29' ' ' ILE . 11.8 m -131.87 152.58 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 43.1 t80 -109.9 123.6 49.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.68 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.3 m-85 -87.4 119.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 25.9 m-85 -67.01 168.72 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 72.46 -61.36 1.53 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 7.8 t -79.99 -47.91 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 4.2 m170 80.15 64.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-20 -138.97 140.17 38.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 67.4 m-85 -96.38 149.98 21.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 48.3 m-85 -157.63 157.64 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 84.5 m95 -103.28 95.64 6.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.99 136.96 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.5 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.107 . . . . 0.0 109.588 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.58 151.48 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.6 -15.97 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' NE2' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -94.41 -7.67 40.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.97 150.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -114.83 147.25 37.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.35 9.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' A' ' 71' ' ' VAL . 6.7 t80 -87.36 125.81 34.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' ' CE1' ' A' ' 70' ' ' TYR . 11.8 m -95.43 177.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 2.6 tm-20 -120.56 140.27 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.45 90.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' SER . 2.7 t0 -156.15 99.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 mttp 66.33 -74.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -144.46 144.51 31.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 32.3 p90 -64.15 -30.71 71.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' CB ' HD22 ' A' ' 92' ' ' LEU . . . -168.2 62.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 67.12 -67.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . 127.71 117.92 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.09 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.63 159.85 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -152.66 134.71 14.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.54 86.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 85' ' ' ASN . 42.7 mm 64.09 -97.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.509 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -143.72 -51.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 -177.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 1.7 m -95.35 -44.22 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.935 ' CD2' HD11 ' A' ' 92' ' ' LEU . 24.0 t80 -47.12 -58.43 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -45.88 -46.31 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.79 -42.73 98.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.26 -39.39 86.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.0 mt -59.43 -56.9 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.67 -53.78 47.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.78 -55.25 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.05 -44.9 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LYS . . . -61.86 -58.7 6.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -40.37 -64.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.54 ' CB ' HD11 ' A' ' 14' ' ' ILE . 42.0 mmt180 -40.19 -62.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 72' ' ' GLU . 55.7 t80 -44.81 -36.51 3.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.3 mm-40 -78.26 -32.65 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.9 mt-10 -72.92 -54.62 8.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 12' ' ' LYS . 6.9 mp -42.66 -60.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -50.37 74.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 100' ' ' GLN . . . -90.05 77.97 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 m -156.13 175.83 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.25 74.22 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -51.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 p -59.92 152.63 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -170.07 165.46 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.41 162.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.21 84.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m 53.28 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -124.19 162.36 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.51 -85.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 161.32 21.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -77.3 -171.96 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 9' ' ' LEU . 17.5 m-70 -169.16 170.66 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD2' ' OD1' ' A' ' 31' ' ' ASN . 20.3 m-85 -60.57 162.23 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 108' ' ' SER . 0.4 OUTLIER 41.32 67.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 37.9 tt0 -149.93 131.57 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.94 HD13 ' HB2' ' A' ' 28' ' ' GLU . 3.2 mm -79.77 125.27 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.93 167.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.21 122.58 39.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 107.988 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.93 135.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.95 110.01 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 25' ' ' TRP . 1.1 mm? -70.71 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.81 -68.08 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -158.86 64.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.79 62.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? 62.66 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.16 169.45 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 107.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.626 ' CB ' HD21 ' A' ' 19' ' ' LEU . 9.7 t-105 -130.89 133.75 25.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 25' ' ' TRP . 18.5 Cg_endo -75.01 142.86 28.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . . . -160.58 168.22 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.94 ' HB2' HD13 ' A' ' 14' ' ' ILE . 1.3 tm-20 -127.94 123.27 34.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.837 ' HA ' HG12 ' A' ' 51' ' ' VAL . 66.5 mt -54.59 123.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -108.94 166.36 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 11' ' ' TYR . 6.5 m-80 -94.19 164.83 19.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -20.39 16.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.3 -12.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.82 -60.87 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 50' ' ' PRO . 12.8 m -52.96 157.74 2.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.99 41.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.4 -36.73 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -46.92 -44.56 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 59' ' ' TYR . 9.4 mm -76.43 -47.9 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.7 -33.46 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.84 -29.45 67.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 32.0 mt -51.1 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 3.1 mttt 64.02 158.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.37 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 61' ' ' TRP . 86.1 m-70 -159.87 -79.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -159.45 174.1 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 126.18 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . 129.76 -92.37 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -32.94 129.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HD1' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -119.38 163.63 25.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' HG11 ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 29' ' ' ILE . 25.4 m -133.7 166.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 80.2 t80 -125.17 123.19 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.6 m-85 -86.61 106.79 17.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 15.6 m-85 -56.31 166.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.66 ' HA3' ' HB2' ' A' ' 91' ' ' ALA . . . 75.36 -61.6 2.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 93.3 p -81.49 -49.72 10.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 83.14 67.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 m-20 -142.83 140.54 31.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB3' HG21 ' A' ' 39' ' ' ILE . 72.8 m-85 -97.72 147.26 24.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 58' ' ' ASP . 59.0 m-85 -151.82 149.12 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 94.9 m95 -99.64 115.45 29.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' ASP . 5.4 m -138.41 128.78 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' VAL . 81.6 t60 -45.78 171.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HB2' HD11 ' A' ' 9' ' ' LEU . 14.0 pt20 -106.07 145.9 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 -11.24 8.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -109.22 0.54 19.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.66 142.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 1.3 m-85 -110.41 146.53 34.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.03 129.68 12.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.03 122.09 28.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 72' ' ' GLU . 5.0 t -93.41 169.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 2.0 tm-20 -121.01 110.65 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 68.31 79.24 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.2 91.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 40.58 56.81 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -156.58 132.05 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 76' ' ' SER . 8.0 m-85 -167.54 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 92' ' ' LEU . . . -166.26 -65.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 41.5 70.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.26 -62.54 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' THR . 1.1 mt-30 70.69 -179.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 81' ' ' GLN . 82.7 p 37.02 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -142.64 109.23 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.39 -66.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -86.57 163.99 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 53.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.2 m -94.67 -47.14 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.715 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.6 t80 -44.52 -51.94 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -56.21 -47.48 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.01 -41.42 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.66 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . . . -67.03 -40.44 87.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 88' ' ' PHE . 19.3 mt -59.8 -52.69 64.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 22.0 mt-10 -54.37 -54.09 45.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.08 -52.83 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -46.1 -41.09 11.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 93' ' ' GLU . . . -62.02 -59.88 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -40.0 -65.63 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.8 ' HB3' HD11 ' A' ' 14' ' ' ILE . 16.3 mmt-85 -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 66.1 t80 -46.23 -34.81 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -79.4 -31.38 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ARG . 3.2 mt-10 -73.57 -54.48 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -43.43 -62.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -50.95 71.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -45.38 -57.19 4.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -178.46 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.89 153.15 29.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -69.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.573 1.828 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.437 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 39.3 t -45.19 139.32 3.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.8 t -168.33 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -47.26 152.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.82 133.26 11.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 90.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 109.971 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -93.45 101.74 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 86.23 1.43 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -116.59 34.74 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 HD11 ' A' ' 29' ' ' ILE . 6.7 mt 62.53 118.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.1 144.21 41.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 31' ' ' ASN . 11.4 m-85 -39.74 160.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 102' ' ' LEU . 2.4 mtmm 49.93 68.88 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -147.22 127.88 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' HB2' ' A' ' 28' ' ' GLU . 7.6 mm -76.41 126.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG11 ' CD2' ' A' ' 9' ' ' LEU . 2.7 m -145.07 162.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -92.71 118.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 107.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -81.69 139.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 24' ' ' TRP . 8.4 mtpt -95.32 128.27 42.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.615 HD21 ' CG1' ' A' ' 17' ' ' VAL . 13.6 mt -110.06 63.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.08 -99.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 10.0 p-10 -123.17 88.69 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 177.7 172.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 137.33 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 18' ' ' LYS . 37.6 m95 -65.97 148.65 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 88' ' ' PHE . 10.1 t-105 -131.77 127.02 21.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.75 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 165.13 30.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.923 ' HB2' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -127.07 137.6 53.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.806 HD11 HD22 ' A' ' 9' ' ' LEU . 93.5 mt -69.48 128.43 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HG ' ' C ' ' A' ' 50' ' ' PRO . 10.5 p -113.24 173.54 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -105.08 157.95 33.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.46 20.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -83.77 -26.21 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 t -80.46 -64.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -46.35 158.08 0.4 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 18.2 Cg_endo -74.96 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 39' ' ' ILE . 1.0 OUTLIER -85.96 -51.64 6.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' CD1' ' A' ' 39' ' ' ILE . 6.0 p-10 -39.32 -30.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 59' ' ' TYR . 29.5 mm -83.89 -62.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -38.59 -51.07 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.58 -36.97 1.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 10.3 mt -40.93 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 141.41 50.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -164.06 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.612 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -163.15 160.05 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ASP . . . -40.46 -66.21 0.87 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -40.05 138.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 64' ' ' GLN . 1.4 p90 -121.81 162.23 37.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD3' ' CZ3' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.99 137.27 21.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 29' ' ' ILE . 34.9 m -135.45 142.27 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 57' ' ' HIS . 59.0 t80 -98.27 123.12 42.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -87.58 114.82 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 98' ' ' ARG . 23.2 m-85 -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.72 -55.79 4.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 8.4 t -83.69 -49.14 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 3.3 m170 81.15 71.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.8 m-20 -150.79 140.82 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' ' 39' ' ' ILE . 87.1 m-85 -96.13 147.43 23.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' PRO . 46.1 m-85 -152.29 154.95 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 73.6 m95 -102.52 107.2 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.6 m -127.15 139.17 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -53.05 178.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . 5.4 pt20 -106.78 160.84 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.85 -27.03 19.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HG3' ' CE1' ' A' ' 63' ' ' HIS . 12.6 mtt-85 -79.37 -11.58 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 149.4 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -111.55 146.56 34.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.68 10.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -83.94 126.33 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.11 157.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -113.62 94.15 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.78 101.4 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -166.25 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -162.39 172.55 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 p -51.77 135.06 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -87.52 -50.06 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' HD13 ' A' ' 92' ' ' LEU . . . -177.34 102.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -140.23 132.13 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.17 -134.77 8.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -66.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -130.15 61.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.76 89.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.26 151.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -120.64 103.08 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.52 176.0 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -49.2 -48.22 45.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.921 ' CE2' HD11 ' A' ' 92' ' ' LEU . 41.4 t80 -42.57 -52.75 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -55.72 -49.43 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -35.95 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.921 HD11 ' CE2' ' A' ' 88' ' ' PHE . 44.4 mt -41.45 -53.75 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.05 -65.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.37 -55.36 5.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.57 -50.65 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.95 -59.69 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -42.27 -65.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.605 ' HB3' HD11 ' A' ' 14' ' ' ILE . 11.0 mmt180 -37.78 -61.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 72' ' ' GLU . 58.7 t80 -46.25 -40.09 10.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 1.6 mm100 -74.12 -32.22 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.77 -54.97 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 12' ' ' LYS . 8.6 mp -41.29 -63.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -50.87 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 100' ' ' GLN . . . -44.9 -55.22 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.39 -59.69 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -57.82 145.09 40.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.66 5.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -128.98 131.14 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 -59.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.953 . . . . . . . . 0 0 . 1 stop_ save_