data_1ab2_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 1ab2 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 1.0 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.58 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CH2' HD11 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.715 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 25' ' ' LEU . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' CD1' ' CZ ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.522 ' CB ' ' HA2' ' A' ' 53' ' ' GLY . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.614 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.931 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.577 ' CG2' ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.6 ' HB ' ' O ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.665 ' CZ ' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' C ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 25' ' ' LEU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.715 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 65.7 m-70 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.6 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.567 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 69' ' ' TYR . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD22 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 87' ' ' SER . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 14.8 m-70 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 85' ' ' HIS . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.717 HG22 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.7 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.3 t60 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HB2' ' NE2' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.957 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.564 ' OG ' ' NE2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' A' ' 25' ' ' LEU . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.422 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.471 ' CG2' HD22 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 67' ' ' LYS . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.423 ' O ' HD11 ' A' ' 68' ' ' LEU . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG22 ' NE2' ' A' ' 86' ' ' HIS . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.682 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.558 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.682 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.521 HG12 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.858 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.957 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 37.1 t60 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.695 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.695 ' CE1' ' HD2' ' A' ' 8' ' ' LYS . 2.8 m-70 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.599 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.619 ' CE2' HD13 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.727 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' NE ' ' HG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HB3' ' CD1' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' CB ' ' HG3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.537 ' HG ' ' NE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.592 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' HG13 ' A' ' 55' ' ' VAL . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.501 ' CD1' ' HB3' ' A' ' 45' ' ' ARG . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 93' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 74' ' ' SER . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' ' CD2' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 56' ' ' TYR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.543 ' CG2' ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.543 ' N ' ' CG2' ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.727 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.608 ' CE2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.588 ' NE2' ' NH2' ' A' ' 36' ' ' ARG . 2.2 p80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' HB ' ' NH1' ' A' ' 36' ' ' ARG . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 26' ' ' SER . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 25' ' ' LEU . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.508 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.793 ' CE1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' NH2' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.465 ' OG ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.538 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' SER . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' NE2' HG11 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HA ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.486 HD11 ' CD ' ' A' ' 45' ' ' ARG . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.529 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' CG2' ' NE2' ' A' ' 86' ' ' HIS . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.608 HD21 ' CE2' ' A' ' 12' ' ' TYR . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 87' ' ' SER . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.629 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.45 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.629 ' HG ' ' CG ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.441 HG12 ' N ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.793 ' HA ' ' CE1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 1.2 m-70 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.472 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.684 ' CD1' ' HB3' ' A' ' 100' ' ' PRO . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.68 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' HD13 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' ALA . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD1' ' HG3' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.56 HD13 ' CE2' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ARG . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.589 ' CD ' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.436 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.7 ' HG ' ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 25' ' ' LEU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.412 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.589 ' CD1' ' CD ' ' A' ' 45' ' ' ARG . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' CA ' ' A' ' 92' ' ' GLY . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 67' ' ' LYS . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.575 ' CG2' HD12 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.634 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.4 t60 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.665 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 6.7 m-70 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 85' ' ' HIS . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.48 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.665 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.7 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' CD1' ' HA2' ' A' ' 14' ' ' GLY . 1.3 pp . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.643 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.586 ' HD2' ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.595 ' NH1' ' HB3' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HD3' ' N ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.451 ' N ' ' CG2' ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' CD2' HG22 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.637 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.643 ' CB ' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.637 ' CD2' ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 89' ' ' VAL . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.655 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 69.3 m-70 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 85' ' ' HIS . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.655 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.408 ' CG1' ' N ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.574 ' CG2' ' CB ' ' A' ' 49' ' ' LEU . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.755 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.757 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.757 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CE1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' HD11 ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.5 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.807 ' CE2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 12' ' ' TYR . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' HA3' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 68' ' ' LEU . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 76' ' ' PHE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.509 ' CG2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.488 HD23 ' CG1' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB1' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 53.3 t60 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 85' ' ' HIS . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.669 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.587 HD13 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.632 ' CG2' ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.807 ' N ' ' CE2' ' A' ' 33' ' ' PHE . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 75.8 t60 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.8 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 100' ' ' PRO . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.642 ' CE2' ' CB ' ' A' ' 9' ' ' HIS . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 16' ' ' VAL . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.652 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.479 HH12 ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' CZ ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.464 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.618 ' CG1' ' NE2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.652 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 82' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG13 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 49' ' ' LEU . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.633 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 28.1 t60 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.718 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.612 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.718 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.595 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.85 ' CG ' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.456 ' O ' HG21 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD22 ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.662 ' CD1' HD22 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 92' ' ' GLY . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.675 ' OG1' ' N ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.85 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.603 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.583 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' CZ ' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.581 ' HB1' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' CG ' ' HG3' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' C ' ' HD2' ' A' ' 98' ' ' HIS . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.581 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.644 ' CD2' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 47' ' ' ILE . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' CG ' ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.586 ' CE2' HD13 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' CG ' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 63' ' ' ALA . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.432 ' N ' HG21 ' A' ' 62' ' ' THR . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' PHE . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG22 ' NE2' ' A' ' 86' ' ' HIS . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.684 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.463 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.684 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.586 HD13 ' CE2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.577 ' CG2' ' N ' ' A' ' 96' ' ' THR . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.577 ' N ' ' CG2' ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.644 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.458 ' HD2' ' C ' ' A' ' 31' ' ' GLY . 4.0 m-70 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 2.0 m-70 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 10' ' ' SER . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.602 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 95' ' ' THR . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.602 ' CE1' ' HG2' ' A' ' 18' ' ' ARG . 33.8 m80 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.659 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.659 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.528 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 55.3 t60 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 16.4 m-70 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.618 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 HG12 ' N ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 49' ' ' LEU . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.622 ' CZ2' HG12 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' HG13 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 2.2 p80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.499 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 17' ' ' SER . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD23 ' CD ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.758 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.769 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.511 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 32' ' ' SER . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' NE2' HG13 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 82' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.622 HG12 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.627 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 7.2 m-70 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.627 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.68 HG22 ' CE2' ' A' ' 33' ' ' PHE . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.769 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.675 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.675 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.749 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.749 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.435 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.472 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.931 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.553 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB3' ' NH2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 51' ' ' TYR . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CD2' ' CG2' ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.619 HG12 ' CD1' ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.623 HG13 ' CZ2' ' A' ' 11' ' ' TRP . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.664 ' CG ' HD23 ' A' ' 93' ' ' LEU . 71.5 m-70 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 85' ' ' HIS . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' CG2' ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.447 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.664 HD23 ' CG ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.568 ' N ' HD11 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.51 ' CG2' ' CB ' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.647 ' HZ1' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' PRO . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 79' ' ' LEU . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.604 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.605 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.586 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.848 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' CB ' HD11 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.637 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.736 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 45' ' ' ARG . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' PHE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG13 ' CD2' ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.423 HG23 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.647 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' SER . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 89' ' ' VAL . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 5.9 m-70 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 85' ' ' HIS . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.63 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.629 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.746 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 55' ' ' VAL . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.618 HD12 ' CD2' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.503 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 25' ' ' LEU . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.553 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 45' ' ' ARG . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.528 ' CD2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.594 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.571 ' CB ' HD12 ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.655 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.655 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.698 HG22 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.644 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HA ' ' CE1' ' A' ' 33' ' ' PHE . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.731 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.731 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.602 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.494 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.677 ' CD2' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 16' ' ' VAL . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLY . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.59 ' NH1' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.584 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.441 HD13 ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' O ' ' A' ' 69' ' ' TYR . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.563 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.571 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 45' ' ' ARG . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CD2' HD23 ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' HIS . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.677 ' CD2' ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.617 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.617 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 27' ' ' SER . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.626 ' N ' HD12 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 36' ' ' ARG . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.638 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CB ' HD13 ' A' ' 79' ' ' LEU . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 68' ' ' LEU . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 HG23 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.588 ' CE1' HG13 ' A' ' 89' ' ' VAL . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.661 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 21.0 m-70 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.588 HG13 ' CE1' ' A' ' 85' ' ' HIS . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.422 HG12 ' OH ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' A' ' 96' ' ' THR . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' CD2' ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.432 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.718 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.705 HH12 ' N ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.669 ' HG2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.669 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG3' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CD1' ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.549 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 67' ' ' LYS . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 63' ' ' ALA . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 62' ' ' THR . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 16.0 m-70 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG13 ' CE1' ' A' ' 85' ' ' HIS . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.497 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.592 HD11 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.592 ' N ' HD11 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.718 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.663 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' OE2' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 98' ' ' HIS . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.546 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' OE2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CD1' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 62' ' ' THR . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.606 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' HD13 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.508 ' CG2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 87' ' ' SER . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.507 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.568 ' HG ' ' CG ' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.766 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.766 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.608 ' CD2' HD13 ' A' ' 29' ' ' ILE . 10.0 t60 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.535 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.629 ' CD1' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.963 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' NE ' ' OH ' ' A' ' 12' ' ' TYR . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.401 HG22 ' C ' ' A' ' 66' ' ' GLY . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' HG22 ' A' ' 62' ' ' THR . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 76' ' ' PHE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.403 ' OG1' ' NZ ' ' A' ' 8' ' ' LYS . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.52 ' CA ' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 89' ' ' VAL . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.742 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 26.3 m-70 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' VAL . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 85' ' ' HIS . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.742 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.688 ' CG2' ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.648 ' O ' ' O ' ' A' ' 97' ' ' LEU . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.648 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 67.7 t60 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.629 ' CE2' ' CD1' ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -69.32 100.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 1.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.24 -49.41 0.86 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -108.95 -44.49 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 1.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p 54.96 171.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.004 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -115.75 158.17 23.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.58 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CH2' HD11 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.715 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 25' ' ' LEU . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' CD1' ' CZ ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.522 ' CB ' ' HA2' ' A' ' 53' ' ' GLY . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.614 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.931 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.577 ' CG2' ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.6 ' HB ' ' O ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.665 ' CZ ' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' C ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.441 HG12 ' CD2' ' A' ' 25' ' ' LEU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.715 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 65.7 m-70 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.6 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.567 ' CD1' ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 69' ' ' TYR . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD22 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 87' ' ' SER . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 14.8 m-70 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 85' ' ' HIS . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.717 HG22 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.7 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.3 t60 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.09 89.74 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.55 147.05 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.31 29.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.549 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -126.29 51.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.365 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -51.85 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.474 ' HA2' ' CZ ' ' A' ' 108' ' ' ARG . . . -110.73 77.19 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 1.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -40.75 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 1.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 169.04 129.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 109.669 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.474 ' CZ ' ' HA2' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 177.84 71.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.954 -1.498 . . . . 1.0 109.324 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 28.9 m 66.16 -66.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 1.0 110.05 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . -44.93 138.2 5.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 1.0 111.053 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -152.13 -54.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 1.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p -103.46 44.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 109.937 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.0 144.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 101' ' ' ALA . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HB2' ' NE2' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.957 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.564 ' OG ' ' NE2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' A' ' 25' ' ' LEU . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.422 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.471 ' CG2' HD22 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 67' ' ' LYS . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.423 ' O ' HD11 ' A' ' 68' ' ' LEU . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG22 ' NE2' ' A' ' 86' ' ' HIS . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.682 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.558 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.682 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.521 HG12 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.858 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.957 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 37.1 t60 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -75.12 11.48 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -76.91 143.56 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 168.08 25.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 1.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -105.74 128.19 53.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 1.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.67 -48.01 5.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 1.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -69.58 91.19 0.32 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.362 1.039 . . . . 1.0 111.025 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.13 -63.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 1.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.2 p80 -175.48 59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -140.13 129.26 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.935 ' O ' ' O ' ' A' ' 108' ' ' ARG . 71.8 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.002 -1.475 . . . . 1.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -79.59 -58.56 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 1.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -80.83 -61.52 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 1.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 3' ' ' GLY . 0.3 OUTLIER 39.9 -93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 109.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p -133.75 157.65 45.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 110.037 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -166.41 171.75 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.695 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.695 ' CE1' ' HD2' ' A' ' 8' ' ' LYS . 2.8 m-70 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.599 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.619 ' CE2' HD13 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.666 ' HB2' ' CE ' ' A' ' 103' ' ' LYS . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.727 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' NE ' ' HG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HB3' ' CD1' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' CB ' ' HG3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.537 ' HG ' ' NE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.592 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' HG13 ' A' ' 55' ' ' VAL . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.501 ' CD1' ' HB3' ' A' ' 45' ' ' ARG . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 93' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.615 ' CE1' ' O ' ' A' ' 74' ' ' SER . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' ' CD2' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 56' ' ' TYR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.543 ' CG2' ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.543 ' N ' ' CG2' ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.727 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.05 77.67 3.09 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.6 116.85 2.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.9 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.57 1.826 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.666 ' CE ' ' HB2' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -105.28 122.8 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.33 92.05 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.45 129.55 9.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.417 1.073 . . . . 1.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 97.0 mt -106.16 -57.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 3.0 p-80 47.2 25.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 1.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.536 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER 39.93 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.344 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 108' ' ' ARG . 1.2 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.993 -1.479 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -92.51 133.97 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 1.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.42 -79.75 0.16 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.541 1.151 . . . . 1.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -134.75 162.21 33.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.707 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' HIS . 86.9 p -130.81 164.88 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 1.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER 43.61 40.09 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.608 ' CE2' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.826 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 2.2 p80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' HB ' ' NH1' ' A' ' 36' ' ' ARG . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 26' ' ' SER . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 25' ' ' LEU . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.508 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.793 ' CE1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' NH2' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.465 ' OG ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.538 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' SER . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' NE2' HG11 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HA ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.486 HD11 ' CD ' ' A' ' 45' ' ' ARG . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.529 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' CG2' ' NE2' ' A' ' 86' ' ' HIS . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.608 HD21 ' CE2' ' A' ' 12' ' ' TYR . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 87' ' ' SER . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.629 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.45 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.629 ' HG ' ' CG ' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.441 HG12 ' N ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.793 ' HA ' ' CE1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -75.03 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.491 ' O ' ' NZ ' ' A' ' 103' ' ' LYS . . . -38.06 98.37 0.16 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' PRO . 18.1 Cg_endo -75.07 168.97 23.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.826 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 4.0 mmtt -80.7 85.59 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.37 138.13 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.236 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.28 -149.14 15.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 1.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.583 HG13 ' CE1' ' A' ' 107' ' ' HIS . 3.2 tp -135.42 -66.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.583 ' CE1' HG13 ' A' ' 106' ' ' ILE . 3.0 p80 161.49 -37.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.537 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.75 115.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.989 -1.482 . . . . 1.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p 63.29 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 39.16 -118.11 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 1.0 111.014 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 55.0 m-20 67.41 -68.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 0.737 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 58.0 m -46.89 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 5' ' ' SER . 3.1 tp 87.73 111.53 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 1.0 109.24 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 103' ' ' LYS . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 1.2 m-70 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.684 ' CD1' ' HB3' ' A' ' 100' ' ' PRO . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.686 ' CD2' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' HD13 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' ALA . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD1' ' HG3' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.56 HD13 ' CE2' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ARG . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.589 ' CD ' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.436 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.7 ' HG ' ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 25' ' ' LEU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.412 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.589 ' CD1' ' CD ' ' A' ' 45' ' ' ARG . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' CA ' ' A' ' 92' ' ' GLY . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 67' ' ' LYS . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.575 ' CG2' HD12 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.634 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.4 t60 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.665 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 6.7 m-70 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 85' ' ' HIS . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.48 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.665 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.7 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.77 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 47.87 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 99' ' ' TYR . . . -44.6 163.35 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.56 38.45 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 1.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -73.11 134.48 44.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.01 -60.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.78 141.52 19.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.09 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.83 -65.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 1.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -147.1 -61.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.587 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.99 -56.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 110.232 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.334 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.097 -0.801 . . . . 1.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 53.22 78.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 1.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.89 -142.03 12.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.19 -55.88 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 1.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -120.93 122.0 39.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' A' ' 107' ' ' HIS . 1.3 pp -89.46 43.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.643 ' CE1' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.586 ' HD2' ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.595 ' NH1' ' HB3' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HD3' ' N ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.451 ' N ' ' CG2' ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' CD2' HG22 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.637 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.643 ' CB ' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.637 ' CD2' ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 89' ' ' VAL . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.655 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 69.3 m-70 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 85' ' ' HIS . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.655 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.408 ' CG1' ' N ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.574 ' CG2' ' CB ' ' A' ' 49' ' ' LEU . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.755 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.757 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.757 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -79.89 115.17 52.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 1.0 109.223 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 92.12 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 1.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.81 175.84 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 1.0 109.327 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.607 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -118.24 -28.16 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.425 1.078 . . . . 1.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.607 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -18.18 104.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -79.82 140.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 1.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.54 ' CE1' HD22 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -83.74 79.31 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.586 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 -56.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 116.975 -1.488 . . . . 1.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.73 -59.05 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 0.757 . . . . 1.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' ASN . . . 71.94 -72.07 0.91 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.408 1.068 . . . . 1.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p-10 -40.35 123.61 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 176.41 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt 62.25 168.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 1.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CE1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' HD11 ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.5 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.807 ' CE2' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 12' ' ' TYR . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' HA3' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 68' ' ' LEU . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 76' ' ' PHE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.509 ' CG2' ' HB1' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.488 HD23 ' CG1' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB1' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 53.3 t60 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 85' ' ' HIS . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.669 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.587 HD13 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.632 ' CG2' ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.807 ' N ' ' CE2' ' A' ' 33' ' ' PHE . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 75.8 t60 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.8 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.99 89.52 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.43 135.01 9.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.01 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -69.1 174.53 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.418 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.48 85.37 5.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.63 73.43 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 1.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.0 mm -117.34 146.18 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.583 0.814 . . . . 1.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -169.48 143.03 2.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 1.0 109.668 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 -56.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 1.0 110.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.077 -1.439 . . . . 1.0 109.283 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -66.46 -58.26 5.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 0.723 . . . . 1.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.79 70.32 3.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 1.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.72 141.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -50.44 -60.7 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.09 103.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 101' ' ' ALA . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.642 ' CE2' ' CB ' ' A' ' 9' ' ' HIS . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 16' ' ' VAL . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.652 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.479 HH12 ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' CZ ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.464 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.618 ' CG1' ' NE2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.652 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 82' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG13 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 49' ' ' LEU . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.633 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 28.1 t60 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.91 51.66 2.81 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.629 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -70.89 114.48 27.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.67 42.63 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 1.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.611 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -99.23 151.58 20.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 119.44 19.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 1.0 110.373 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.02 -160.44 35.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.448 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 13.8 tt -109.95 42.4 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 2.2 p-80 37.14 66.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 1.0 109.682 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -113.98 107.55 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.943 -1.504 . . . . 1.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.73 ' HG ' ' NH1' ' A' ' 108' ' ' ARG . 6.0 m -118.99 -61.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.763 . . . . 1.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.63 149.36 7.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 62.87 116.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 0.823 . . . . 1.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.64 -73.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.95 135.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.718 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.612 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.612 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.718 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.595 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.85 ' CG ' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.456 ' O ' HG21 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD22 ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.662 ' CD1' HD22 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 92' ' ' GLY . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.675 ' OG1' ' N ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.85 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 55.37 3.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -76.38 114.7 40.64 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 1.0 109.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' N ' ' HG ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -74.92 144.49 30.61 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.455 1.766 . . . . 1.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 13' ' ' HIS . 1.8 mmtt -66.7 148.31 52.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 109.216 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.23 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 1.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.78 82.37 0.26 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 1.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.578 HD12 ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -109.81 123.8 65.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.481 0.754 . . . . 1.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.578 ' CD2' HD12 ' A' ' 106' ' ' ILE . 1.1 p-80 -37.66 124.7 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 1.0 109.668 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.73 ' NH1' ' HG ' ' A' ' 2' ' ' SER . 1.7 mmm180 -148.54 164.78 33.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.392 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.17 78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.409 0.711 . . . . 1.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.57 164.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.92 172.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 1.0 109.267 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.597 ' OG ' ' CE1' ' A' ' 12' ' ' TYR . 41.8 t -71.63 -58.35 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 68.35 161.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.373 1.045 . . . . 1.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.603 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.583 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' CZ ' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.581 ' HB1' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' CG ' ' HG3' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' C ' ' HD2' ' A' ' 98' ' ' HIS . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.581 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.644 ' CD2' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 47' ' ' ILE . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' CG ' ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.586 ' CE2' HD13 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 45' ' ' ARG . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' CG ' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 63' ' ' ALA . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.432 ' N ' HG21 ' A' ' 62' ' ' THR . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' PHE . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG22 ' NE2' ' A' ' 86' ' ' HIS . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.684 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.463 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.684 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.586 HD13 ' CE2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.577 ' CG2' ' N ' ' A' ' 96' ' ' THR . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.577 ' N ' ' CG2' ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.644 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.458 ' HD2' ' C ' ' A' ' 31' ' ' GLY . 4.0 m-70 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.03 132.27 2.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 -178.35 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 1.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.525 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -79.17 -179.52 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -69.71 -56.56 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 1.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.7 58.78 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.9 mt -88.97 105.58 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 1.0 109.226 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.445 ' H ' ' CD2' ' A' ' 107' ' ' HIS . 4.9 p80 -106.8 68.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.08 167.95 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 1.0 110.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.012 -1.47 . . . . 1.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 162.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 1.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . 164.83 73.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.469 1.106 . . . . 1.0 111.018 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 5' ' ' SER . 8.6 p30 43.65 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 1.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 4' ' ' ASN . 42.6 m 68.41 -58.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 1.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 4' ' ' ASN . 3.3 mm? -70.1 58.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 2.0 m-70 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 101' ' ' ALA . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' O ' ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.602 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 95' ' ' THR . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.602 ' CE1' ' HG2' ' A' ' 18' ' ' ARG . 33.8 m80 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.54 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' C ' ' N ' ' A' ' 82' ' ' LEU . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.659 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.659 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 55.3 t60 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 16.4 m-70 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.618 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 HG12 ' N ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 49' ' ' LEU . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo -74.97 12.72 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.591 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . -65.83 164.13 30.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -74.98 141.47 26.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 1.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.576 ' HE2' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -72.08 172.06 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -74.42 104.15 5.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 110.285 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -47.82 -98.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.437 1.086 . . . . 1.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 106' ' ' ILE . 0.0 OUTLIER -129.08 110.25 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 9.7 p80 -69.23 82.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.553 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -56.73 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.997 -1.477 . . . . 1.0 109.353 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 -60.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 1.0 110.074 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.29 99.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 175.87 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 1.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -54.5 -55.23 31.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 110.01 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -81.19 53.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HE2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 102' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' CZ2' HG12 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD1' HG13 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.579 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 2.2 p80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.499 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 17' ' ' SER . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD23 ' CD ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.758 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.769 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.511 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 32' ' ' SER . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 ' CG2' ' CD2' ' A' ' 25' ' ' LEU . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' NE2' HG13 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 82' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.622 HG12 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.627 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 7.2 m-70 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.627 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.68 HG22 ' CE2' ' A' ' 33' ' ' PHE . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.769 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.675 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.675 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.95 39.42 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -78.4 113.79 37.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 1.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.48 ' N ' ' HB3' ' A' ' 10' ' ' SER . 18.0 Cg_endo -75.08 109.28 2.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.579 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -97.36 158.85 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.18 -57.86 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 1.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.9 -141.07 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 1.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.5 tp -115.44 111.97 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 107' ' ' HIS . 7.2 p80 -64.5 -62.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 1.0 109.548 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 -57.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 1.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.042 -1.456 . . . . 1.0 109.33 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 40.7 83.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 0.796 . . . . 1.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.69 138.66 46.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -150.42 -55.12 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 1.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 t -97.16 86.22 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.5 46.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 1.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.749 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' ' O ' ' A' ' 101' ' ' ALA . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.749 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.472 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.931 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.553 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' CG ' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB3' ' NH2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.513 HG23 ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 51' ' ' TYR . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' HB ' ' CD2' ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CD2' ' CG2' ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.619 HG12 ' CD1' ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.623 HG13 ' CZ2' ' A' ' 11' ' ' TRP . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.664 ' CG ' HD23 ' A' ' 93' ' ' LEU . 71.5 m-70 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 85' ' ' HIS . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' CG2' ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.447 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.664 HD23 ' CG ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.568 HD11 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.568 ' N ' HD11 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.51 ' CG2' ' CB ' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 12.89 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -77.26 148.37 77.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 1.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' N ' ' HB3' ' A' ' 10' ' ' SER . 18.5 Cg_endo -74.98 154.48 42.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.73 -175.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.334 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -71.89 -25.46 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -33.31 -46.18 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 1.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -68.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.454 0.738 . . . . 1.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 115.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -152.84 159.67 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 116.981 -1.485 . . . . 1.0 109.292 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.84 146.79 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 1.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.7 -58.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.0 t30 53.76 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 1.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -60.17 168.21 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.55 71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.647 ' HZ1' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 101' ' ' ALA . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 79' ' ' LEU . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.604 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.605 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.586 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.848 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' CB ' HD11 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.637 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.736 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 45' ' ' ARG . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' PHE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG13 ' CD2' ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.423 HG23 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.647 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' SER . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 89' ' ' VAL . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 5.9 m-70 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 85' ' ' HIS . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.63 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.629 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.746 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo -74.98 36.45 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -74.21 124.99 90.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.429 1.752 . . . . 1.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.589 ' HD2' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.55 144.62 39.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -93.21 99.73 12.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 1.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -35.87 133.8 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 1.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.623 HG22 ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -69.25 -41.46 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 1.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -156.25 161.4 40.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.683 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.601 ' CD ' ' CG ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER 62.91 84.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.319 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.907 -1.52 . . . . 1.0 109.291 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.532 1.11 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.3 p 81.97 -52.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 0.832 . . . . 1.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.49 59.5 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.5 167.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 1.0 109.25 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.6 77.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 1.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 39.51 49.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 55' ' ' VAL . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.618 HD12 ' CD2' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.503 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 25' ' ' LEU . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.553 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 45' ' ' ARG . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' CD2' ' NH1' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.594 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.571 ' CB ' HD12 ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.655 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.655 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.698 HG22 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.644 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HA ' ' CE1' ' A' ' 33' ' ' PHE . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.0 84.66 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.04 151.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 154.29 42.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.375 1.724 . . . . 1.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.724 ' NZ ' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -80.57 104.91 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 1.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -71.66 130.32 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.86 162.33 22.4 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.416 1.072 . . . . 1.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.7 mt -134.17 66.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 0.719 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 1.9 p-80 39.11 58.25 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 1.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.38 106.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.04 -1.457 . . . . 1.0 109.298 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -75.86 78.38 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 1.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -116.27 58.9 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.557 1.16 . . . . 1.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.36 -64.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.773 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 3' ' ' GLY . 52.4 p -114.82 157.74 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 1.0 109.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -79.04 73.47 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 109.378 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.731 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.731 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.602 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' CD1' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.677 ' CD2' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 16' ' ' VAL . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLY . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.59 ' NH1' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.584 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.441 HD13 ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.439 HG21 ' O ' ' A' ' 69' ' ' TYR . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.563 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.571 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 45' ' ' ARG . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CD2' HD23 ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' HIS . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.677 ' CD2' ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -75.05 95.74 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB1' ' CD1' ' A' ' 29' ' ' ILE . . . -41.02 162.61 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 139.7 25.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.428 1.751 . . . . 1.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 154.62 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -97.0 133.5 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 110.317 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -38.42 153.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.577 1.173 . . . . 1.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -90.1 124.59 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 1.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -90.42 63.11 5.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 1.0 109.601 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.433 ' N ' HD11 ' A' ' 106' ' ' ILE . 0.1 OUTLIER 64.89 -67.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 1.0 110.369 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.967 -1.492 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p 50.23 78.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 1.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.92 70.38 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 1.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -53.39 100.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.757 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m 39.23 82.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 1.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.28 89.2 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 1.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.617 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.617 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 27' ' ' SER . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.626 ' N ' HD12 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 36' ' ' ARG . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.638 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CB ' HD13 ' A' ' 79' ' ' LEU . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 68' ' ' LEU . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 HG23 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.588 ' CE1' HG13 ' A' ' 89' ' ' VAL . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.661 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 21.0 m-70 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.588 HG13 ' CE1' ' A' ' 85' ' ' HIS . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.422 HG12 ' OH ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' A' ' 96' ' ' THR . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo -75.01 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.21 107.82 0.74 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 150.63 37.92 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.511 1.795 . . . . 1.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.518 ' CD ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 mmmt -71.42 107.09 4.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.08 -56.54 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.31 -110.5 3.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.48 1.112 . . . . 1.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.0 tp -115.35 155.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.77 92.75 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.3 ptm180 -129.32 -39.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 19.5 p-10 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.063 -1.446 . . . . 1.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 81.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 1.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.84 67.08 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.422 1.076 . . . . 1.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -55.08 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 1.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -75.6 -159.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.35 -156.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' O ' ' CB ' ' A' ' 25' ' ' LEU . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' CD2' ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.432 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.718 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.705 HH12 ' N ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.669 ' HG2' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.669 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG3' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CD1' ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.549 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 67' ' ' LYS . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 63' ' ' ALA . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 62' ' ' THR . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 16.0 m-70 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG13 ' CE1' ' A' ' 85' ' ' HIS . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.497 ' CA ' HG13 ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.592 HD11 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.592 ' N ' HD11 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.718 ' HA ' ' CE2' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo -74.97 89.63 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB1' ' CE2' ' A' ' 99' ' ' TYR . . . -66.37 153.49 92.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.42 29.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 1.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -89.23 88.61 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.22 135.64 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.05 62.37 0.2 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.574 1.171 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.424 ' C ' ' CD1' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -80.23 108.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.357 0.681 . . . . 1.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 74.37 -60.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.601 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.37 -55.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 1.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.71 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 1.1 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.936 -1.507 . . . . 1.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -130.17 79.0 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.628 0.84 . . . . 1.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 100.78 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.465 ' ND2' ' HH ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -40.55 107.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 1.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 6' ' ' LEU . 20.2 p -170.1 169.86 7.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 1.0 109.921 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' CG ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER 82.81 140.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.663 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.665 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' OE2' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 98' ' ' HIS . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.546 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' OE2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CD1' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 62' ' ' THR . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.606 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CD1' HD13 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.508 ' CG2' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 87' ' ' SER . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.507 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.568 ' HG ' ' CG ' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.766 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.766 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.608 ' CD2' HD13 ' A' ' 29' ' ' ILE . 10.0 t60 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.98 78.03 2.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.4 100.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 100' ' ' PRO . 18.0 Cg_endo -75.1 -179.0 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 1.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.665 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -94.65 156.99 16.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 1.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 84.09 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.33 -117.84 3.76 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.122 . . . . 1.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.41 -71.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 p80 176.81 55.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.3 61.04 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.98 -1.486 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.654 ' H2 ' HH22 ' A' ' 45' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p 51.93 175.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 0.733 . . . . 1.0 110.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . -107.38 -121.99 4.78 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 1.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.3 p30 41.3 45.03 2.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 1.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 13.4 t 65.89 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 1.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -176.94 -27.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 1.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.535 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.629 ' CD1' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.963 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.654 HH22 ' H2 ' ' A' ' 1' ' ' GLY . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.409 HG22 ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 HG22 ' C ' ' A' ' 66' ' ' GLY . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' HG22 ' A' ' 62' ' ' THR . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 76' ' ' PHE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.403 ' OG1' ' NZ ' ' A' ' 8' ' ' LYS . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.52 ' CA ' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 89' ' ' VAL . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.742 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 26.3 m-70 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' VAL . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 85' ' ' HIS . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.742 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.688 ' CG2' ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.648 ' O ' ' O ' ' A' ' 97' ' ' LEU . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.648 ' O ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 67.7 t60 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.629 ' CE2' ' CD1' ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.92 80.63 2.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -52.16 108.78 1.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 117.16 4.81 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 1.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE2' ' CG ' ' A' ' 13' ' ' HIS . 7.6 mmmt -91.3 62.76 4.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.82 120.72 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -125.39 169.76 17.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.087 . . . . 1.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 107' ' ' HIS . 20.1 tt -78.81 -55.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 1.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 10.4 p80 -175.72 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.02 108.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.007 -1.473 . . . . 1.0 109.3 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 1.0 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.628 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 13.6 m170 -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.853 ' CH2' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 34' ' ' LEU . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.698 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.534 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 32' ' ' SER . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.732 ' HB3' HD12 ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.925 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.097 HG22 ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.097 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.892 ' HG3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 22' ' ' GLU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.656 ' CE2' HD13 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 18' ' ' ARG . 37.6 m80 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD11 ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.466 HG23 HD23 ' A' ' 68' ' ' LEU . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.64 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.64 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.438 ' H ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 97' ' ' LEU . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.823 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.6 m170 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.518 HG22 HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 88' ' ' THR . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.442 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.733 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.656 HD13 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.648 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 83' ' ' VAL . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.9 t-160 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.649 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG11 ' CD2' ' A' ' 24' ' ' LEU . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.748 ' CD2' HG11 ' A' ' 16' ' ' VAL . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.74 HD11 ' OG ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.621 ' HB2' ' CE1' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.961 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.775 HD21 ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.883 HG23 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.703 ' C ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.883 HD21 HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.97 HG21 HD23 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 66' ' ' GLY . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 60' ' ' ILE . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 82' ' ' LEU . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 82' ' ' LEU . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 89' ' ' VAL . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.681 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 95' ' ' THR . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.931 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.961 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.621 ' CE1' ' HB2' ' A' ' 30' ' ' ASN . 58.0 t-80 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.712 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.598 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 54.1 m170 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.77 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 36' ' ' ARG . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.827 HG21 ' HD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.696 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB3' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HE ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.962 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' HD22 ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.568 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 62' ' ' THR . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.124 HG23 HD11 ' A' ' 82' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.764 ' HD1' HD12 ' A' ' 82' ' ' LEU . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.124 HD11 HG23 ' A' ' 70' ' ' VAL . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.482 ' OG ' HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' OG ' ' A' ' 87' ' ' SER . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.926 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.705 HG23 ' H ' ' A' ' 95' ' ' THR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.705 ' H ' HG23 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.802 HD21 HG22 ' A' ' 83' ' ' VAL . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.827 ' HD2' HG21 ' A' ' 29' ' ' ILE . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.801 ' CE1' ' NH2' ' A' ' 36' ' ' ARG . 6.7 p-80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 17' ' ' SER . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 34' ' ' LEU . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 50' ' ' ARG . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 29' ' ' ILE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.787 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.801 ' NH2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.536 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.817 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.838 ' HB2' HD12 ' A' ' 49' ' ' LEU . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' NE2' HG13 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.59 HG23 HG22 ' A' ' 70' ' ' VAL . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 66' ' ' GLY . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 62' ' ' THR . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.841 HG11 HD23 ' A' ' 93' ' ' LEU . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.691 HD21 ' HG3' ' A' ' 45' ' ' ARG . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.687 ' H ' HG22 ' A' ' 78' ' ' THR . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.936 HG13 HD11 ' A' ' 97' ' ' LEU . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.66 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.841 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' H ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.744 ' H ' HG23 ' A' ' 94' ' ' ILE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.936 HD11 HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.622 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.622 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 31.6 m170 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.472 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.839 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.883 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.68 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 16' ' ' VAL . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.608 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 29' ' ' ILE . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 25' ' ' LEU . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 1.01 ' CD ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.435 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.71 ' HB ' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.954 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.757 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 22' ' ' GLU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.021 HG23 HG22 ' A' ' 70' ' ' VAL . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.619 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.678 ' HB2' ' CD2' ' A' ' 69' ' ' TYR . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.765 HD13 HH12 ' A' ' 45' ' ' ARG . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.021 HG22 HG23 ' A' ' 60' ' ' ILE . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.883 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.057 ' CG1' HD13 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.9 t-80 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 97' ' ' LEU . 55.5 m170 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 89' ' ' VAL . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.057 HD13 ' CG1' ' A' ' 83' ' ' VAL . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD1' ' HA2' ' A' ' 14' ' ' GLY . 1.3 pp . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 1.128 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB3' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' HE ' ' A' ' 50' ' ' ARG . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.766 ' O ' HD11 ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG21 HD12 ' A' ' 79' ' ' LEU . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.908 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.505 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.921 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.777 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.626 ' HE ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB2' HD23 ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 66' ' ' GLY . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' THR . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.158 ' CG2' HD21 ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.724 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.128 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.158 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.815 ' ND1' HD21 ' A' ' 93' ' ' LEU . 35.2 m80 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 89' ' ' VAL . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 ' ND1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.655 HG23 ' HE2' ' A' ' 33' ' ' PHE . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.755 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.755 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.646 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 14.8 m170 -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 35' ' ' VAL . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 24' ' ' LEU . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.501 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.813 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.57 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 1.103 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.746 HG22 ' CD1' ' A' ' 47' ' ' ILE . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.757 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.661 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' CB ' ' A' ' 22' ' ' GLU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.928 HG21 HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 67' ' ' LYS . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 62' ' ' THR . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.928 HD23 HG21 ' A' ' 60' ' ' ILE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.717 HG12 ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.694 ' CG2' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 70' ' ' VAL . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG13 HD13 ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 16.8 t-80 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.985 ' HB3' HD12 ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' OG ' ' A' ' 87' ' ' SER . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 70' ' ' VAL . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.985 HD12 ' HB3' ' A' ' 86' ' ' HIS . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.103 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.815 HD13 HG13 ' A' ' 83' ' ' VAL . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 22.7 t-80 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.813 ' CE1' HD13 ' A' ' 29' ' ' ILE . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.944 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 100' ' ' PRO . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.66 ' NE1' HG11 ' A' ' 83' ' ' VAL . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD21 HH21 ' A' ' 36' ' ' ARG . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 ' NE ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.893 HG11 ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.66 HH21 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.684 HG13 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.725 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.653 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 47' ' ' ILE . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.852 HG11 HD23 ' A' ' 93' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.893 ' HG ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.944 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.693 HD11 ' CG2' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.094 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 1.084 ' CD2' HD21 ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.084 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' H ' ' A' ' 95' ' ' THR . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.665 ' H ' HG23 ' A' ' 94' ' ' ILE . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.094 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 62.0 t-80 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.717 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 79' ' ' LEU . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.561 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.999 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 79' ' ' LEU . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' HB ' HD21 ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.471 HD11 HD12 ' A' ' 47' ' ' ILE . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.746 HG23 HD11 ' A' ' 82' ' ' LEU . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.746 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 97' ' ' LEU . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.943 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.943 HD12 ' HB3' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.058 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.058 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.845 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.781 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.828 HG13 ' HG2' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.724 HD12 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.526 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.77 ' HE2' HG21 ' A' ' 83' ' ' VAL . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.828 ' HG2' HG13 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' NE ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.669 HG22 ' H ' ' A' ' 61' ' ' ASN . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.669 ' H ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 67' ' ' LYS . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.629 ' O ' HG23 ' A' ' 62' ' ' THR . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD21 ' NE ' ' A' ' 45' ' ' ARG . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.782 HG11 HD23 ' A' ' 93' ' ' LEU . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.781 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' HG22 ' A' ' 78' ' ' THR . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.792 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 1.014 ' CD2' HD21 ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.507 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.507 HG23 HG23 ' A' ' 88' ' ' THR . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.014 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.709 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.946 HG22 HD13 ' A' ' 49' ' ' LEU . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.818 ' N ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.417 ' CE1' ' O ' ' A' ' 96' ' ' THR . 1.2 m80 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 44.1 m170 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.847 ' CZ3' HD23 ' A' ' 79' ' ' LEU . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 10' ' ' SER . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.759 HG11 HD12 ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 1.009 ' CE2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.049 HG21 HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.611 ' CG ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.853 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.609 HD12 HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 48' ' ' SER . 80.7 m-70 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' LYS . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.516 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.049 HD21 HG21 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.857 ' H ' HG23 ' A' ' 78' ' ' THR . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.636 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.059 HG13 HD13 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.694 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.676 ' HE1' ' HB2' ' A' ' 91' ' ' ASP . 16.3 t-80 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 36.7 m170 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.676 ' HB2' ' HE1' ' A' ' 85' ' ' HIS . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.516 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.774 HG23 ' H ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.774 ' H ' HG23 ' A' ' 94' ' ' ILE . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.557 ' N ' HG23 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.059 HD13 HG13 ' A' ' 83' ' ' VAL . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.869 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 35' ' ' VAL . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 34' ' ' LEU . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.77 HD21 ' NE ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.558 ' H ' HD12 ' A' ' 25' ' ' LEU . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.759 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.782 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.733 HD13 ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.473 HD12 ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.77 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.627 HG23 ' NH1' ' A' ' 50' ' ' ARG . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.488 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 HD23 ' A' ' 93' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.811 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 70' ' ' VAL . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.869 HG11 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' A' ' 93' ' ' LEU . 51.9 m170 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' H ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 49' ' ' LEU . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.782 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.674 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.75 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.75 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 HD12 ' A' ' 34' ' ' LEU . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' SER . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.903 HD11 ' CD ' ' A' ' 50' ' ' ARG . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.931 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.841 HG23 HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.554 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.708 ' HG2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.841 HG13 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.862 HD12 HG22 ' A' ' 95' ' ' THR . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.903 ' CD ' HD11 ' A' ' 25' ' ' LEU . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG2' HD22 ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' HG21 ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.477 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.744 ' CG2' HD23 ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.893 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.636 ' O ' HD12 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.893 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.814 HG11 HD13 ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 93' ' ' LEU . 36.6 m80 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 97' ' ' LEU . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 89' ' ' VAL . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 89' ' ' VAL . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.814 HD13 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.773 HG23 ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 1.057 HG22 ' HB2' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.877 ' HG ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' HG21 ' A' ' 78' ' ' THR . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.917 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' PRO . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 35' ' ' VAL . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 24' ' ' LEU . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.453 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.639 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.661 ' CB ' HD12 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.639 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.681 HG21 HD22 ' A' ' 68' ' ' LEU . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 69' ' ' TYR . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 62' ' ' THR . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 HG21 ' A' ' 60' ' ' ILE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.548 HG21 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD11 ' CG2' ' A' ' 70' ' ' VAL . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 97' ' ' LEU . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' A' ' 93' ' ' LEU . 62.9 m170 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 86' ' ' HIS . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.767 HD23 HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 83' ' ' VAL . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 57.4 t-80 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.958 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.621 HD22 ' OG ' ' A' ' 32' ' ' SER . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD2' ' HE1' ' A' ' 13' ' ' HIS . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' HG ' ' HB2' ' A' ' 34' ' ' LEU . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.892 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.804 ' CB ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG22 ' CB ' ' A' ' 50' ' ' ARG . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.121 HG21 HD23 ' A' ' 68' ' ' LEU . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 67' ' ' LYS . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.121 HD23 HG21 ' A' ' 60' ' ' ILE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.854 HG11 ' CD2' ' A' ' 93' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.875 ' CD2' HD21 ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 91' ' ' ASP . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB3' HG22 ' A' ' 96' ' ' THR . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.875 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.722 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.895 HG22 ' HB3' ' A' ' 90' ' ' ALA . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' A' ' 83' ' ' VAL . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 29' ' ' ILE . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.874 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.77 ' O ' HD21 ' A' ' 68' ' ' LEU . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.76 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.583 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.745 HD12 HH11 ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.558 ' C ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.811 HD13 ' HB3' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.72 ' HB2' HD21 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.76 HD12 ' CD ' ' A' ' 45' ' ' ARG . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 43' ' ' GLY . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HD13 ' A' ' 93' ' ' LEU . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' ND2' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 70' ' ' VAL . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.577 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.545 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 88' ' ' THR . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.978 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.64 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.6 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 13.6 m170 -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 100' ' ' PRO . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 37' ' ' GLU . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.942 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.014 HD23 ' HD2' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.646 ' H ' HD12 ' A' ' 25' ' ' LEU . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 47' ' ' ILE . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' ILE . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 1.014 ' HD2' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.942 HG21 ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 45' ' ' ARG . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.758 ' HB3' HG23 ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD13 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.745 ' ND1' HD21 ' A' ' 93' ' ' LEU . 35.8 m170 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.652 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 HG13 ' A' ' 83' ' ' VAL . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.532 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 1.229 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.724 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.057 ' HB2' ' NH2' ' A' ' 36' ' ' ARG . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.73 ' HE2' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' HE ' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.057 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 1.039 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.668 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.758 HD13 ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.836 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' HD23 ' A' ' 25' ' ' LEU . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.039 HD12 ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 66' ' ' GLY . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.078 HG23 HD11 ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.229 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.597 ' H ' HG22 ' A' ' 78' ' ' THR . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.078 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.082 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 36.2 m170 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 89' ' ' VAL . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.84 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.84 ' N ' HD13 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.082 HD22 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.838 ' HZ3' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 13' ' ' HIS . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.85 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 30' ' ' ASN . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.544 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.868 HG21 HD13 ' A' ' 79' ' ' LEU . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.837 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.639 ' CG ' HD12 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD2' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.717 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 93' ' ' LEU . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.868 HD13 HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 97' ' ' LEU . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.622 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.926 ' HA ' HD21 ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.463 HG23 ' OG ' ' A' ' 87' ' ' SER . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.506 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.775 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.775 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' HD11 ' A' ' 29' ' ' ILE . 66.1 t-80 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.61 ' OE1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.997 ' CH2' HD12 ' A' ' 79' ' ' LEU . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.612 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.573 HG12 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 21' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.758 HD13 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 1.143 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 79' ' ' LEU . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' NE ' ' OH ' ' A' ' 12' ' ' TYR . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.889 HD13 ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.625 ' CG2' HD22 ' A' ' 68' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 67' ' ' LYS . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 ' CG2' ' A' ' 60' ' ' ILE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.001 HG11 HD13 ' A' ' 93' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.997 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG13 HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.54 ' ND1' ' CD2' ' A' ' 93' ' ' LEU . 32.6 m170 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 85' ' ' HIS . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' VAL . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.001 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.889 ' CG1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.143 HG23 ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 1.001 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 18.1 t-80 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CE2' HD13 ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.5 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -69.32 100.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 1.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.24 -49.41 0.86 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -108.95 -44.49 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 1.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p 54.96 171.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.004 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -115.75 158.17 23.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.628 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 13.6 m170 -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.853 ' CH2' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 34' ' ' LEU . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.698 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.534 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 32' ' ' SER . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.732 ' HB3' HD12 ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.925 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.097 HG22 ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.097 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.892 ' HG3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 22' ' ' GLU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.656 ' CE2' HD13 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 18' ' ' ARG . 37.6 m80 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD11 ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.466 HG23 HD23 ' A' ' 68' ' ' LEU . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.64 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.64 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.438 ' H ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 97' ' ' LEU . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.823 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.6 m170 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.518 HG22 HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 88' ' ' THR . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.733 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.656 HD13 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.648 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 83' ' ' VAL . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.9 t-160 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.09 89.74 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . . . -47.55 147.05 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -74.97 143.31 29.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 1.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.548 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -126.29 51.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.365 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -51.85 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' CZ ' ' A' ' 108' ' ' ARG . . . -110.73 77.19 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 1.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.75 HD13 ' HB2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -90.31 -40.75 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 1.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.75 ' HB2' HD13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER 169.04 129.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 109.669 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' CZ ' ' HA2' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 177.84 71.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.954 -1.498 . . . . 1.0 109.324 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 28.9 m 66.16 -66.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 1.0 110.05 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . -44.93 138.2 5.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 1.0 111.053 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -152.13 -54.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 1.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p -103.46 44.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 109.937 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.0 144.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.649 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 101' ' ' ALA . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG11 ' CD2' ' A' ' 24' ' ' LEU . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.748 ' CD2' HG11 ' A' ' 16' ' ' VAL . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.74 HD11 ' OG ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.621 ' HB2' ' CE1' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.961 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.775 HD21 ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.883 HG23 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.703 ' C ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.883 HD21 HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.97 HG21 HD23 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 66' ' ' GLY . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 60' ' ' ILE . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 82' ' ' LEU . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 82' ' ' LEU . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 89' ' ' VAL . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.681 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 95' ' ' THR . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.931 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.961 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.621 ' CE1' ' HB2' ' A' ' 30' ' ' ASN . 58.0 t-80 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.712 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -75.12 11.48 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -76.91 143.56 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -75.1 168.08 25.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 1.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -105.74 128.19 53.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 1.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.624 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -98.67 -48.01 5.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 1.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -69.58 91.19 0.32 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.362 1.039 . . . . 1.0 111.025 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 104' ' ' ARG . 2.7 mp -94.13 -63.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 1.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 12.9 p-80 -175.48 59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -140.13 129.26 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.935 ' O ' ' O ' ' A' ' 108' ' ' ARG . 71.8 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.002 -1.475 . . . . 1.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -79.59 -58.56 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 1.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -80.83 -61.52 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 1.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 3' ' ' GLY . 0.3 OUTLIER 39.9 -93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 109.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p -133.75 157.65 45.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 110.037 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? -166.41 171.75 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.598 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 54.1 m170 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.77 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.668 ' HB2' ' CE ' ' A' ' 103' ' ' LYS . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 36' ' ' ARG . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.827 HG21 ' HD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.696 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB3' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HE ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.962 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' HD22 ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.568 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 62' ' ' THR . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.124 HG23 HD11 ' A' ' 82' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.764 ' HD1' HD12 ' A' ' 82' ' ' LEU . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.124 HD11 HG23 ' A' ' 70' ' ' VAL . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.482 ' OG ' HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' OG ' ' A' ' 87' ' ' SER . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.926 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.705 HG23 ' H ' ' A' ' 95' ' ' THR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.705 ' H ' HG23 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.802 HD21 HG22 ' A' ' 83' ' ' VAL . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.827 ' HD2' HG21 ' A' ' 29' ' ' ILE . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.05 77.67 3.09 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.574 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -43.6 116.85 2.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.9 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.57 1.826 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.668 ' CE ' ' HB2' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -105.28 122.8 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.33 92.05 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.45 129.55 9.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.417 1.073 . . . . 1.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.794 HG22 ' H ' ' A' ' 108' ' ' ARG . 97.0 mt -106.16 -57.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 109' ' ' ASP . 3.7 p80 47.2 25.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 1.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.794 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER 39.93 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.344 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 108' ' ' ARG . 1.2 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.993 -1.479 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -92.51 133.97 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 1.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.42 -79.75 0.16 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.541 1.151 . . . . 1.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.75 162.21 33.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.707 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.476 ' OG ' HD23 ' A' ' 6' ' ' LEU . 86.9 p -130.81 164.88 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 1.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER 43.61 40.09 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.827 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 6.7 p-80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 17' ' ' SER . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 34' ' ' LEU . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 50' ' ' ARG . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 29' ' ' ILE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.787 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.801 ' NH2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.536 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.817 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.838 ' HB2' HD12 ' A' ' 49' ' ' LEU . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' NE2' HG13 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.59 HG23 HG22 ' A' ' 70' ' ' VAL . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 66' ' ' GLY . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 62' ' ' THR . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.841 HG11 HD23 ' A' ' 93' ' ' LEU . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.691 HD21 ' HG3' ' A' ' 45' ' ' ARG . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.687 ' H ' HG22 ' A' ' 78' ' ' THR . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.936 HG13 HD11 ' A' ' 97' ' ' LEU . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.66 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.841 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' H ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.744 ' H ' HG23 ' A' ' 94' ' ' ILE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.936 HD11 HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -75.03 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 100' ' ' PRO . . . -38.06 98.37 0.16 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.523 ' HA ' ' HE2' ' A' ' 103' ' ' LYS . 18.1 Cg_endo -75.07 168.97 23.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.827 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 4.0 mmtt -80.7 85.59 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.37 138.13 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.236 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.28 -149.14 15.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 1.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.727 HG23 ' H ' ' A' ' 107' ' ' HIS . 3.2 tp -135.42 -66.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.727 ' H ' HG23 ' A' ' 106' ' ' ILE . 3.0 p80 161.49 -37.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.537 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.75 115.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.989 -1.482 . . . . 1.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p 63.29 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 39.16 -118.11 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 1.0 111.014 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 9.9 m120 67.41 -68.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 0.737 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 58.0 m -46.89 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 5' ' ' SER . 3.1 tp 87.73 111.53 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 1.0 109.24 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 103' ' ' LYS . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.622 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 31.6 m170 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.839 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.883 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.686 ' CD2' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 16' ' ' VAL . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.608 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 29' ' ' ILE . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 25' ' ' LEU . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 1.01 ' CD ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.71 ' HB ' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.954 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.757 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 22' ' ' GLU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.021 HG23 HG22 ' A' ' 70' ' ' VAL . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.619 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.678 ' HB2' ' CD2' ' A' ' 69' ' ' TYR . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.765 HD13 HH12 ' A' ' 45' ' ' ARG . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG22 HG23 ' A' ' 60' ' ' ILE . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.883 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.057 ' CG1' HD13 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.9 t-80 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 97' ' ' LEU . 55.5 m170 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 89' ' ' VAL . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.057 HD13 ' CG1' ' A' ' 83' ' ' VAL . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 47.87 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.65 ' O ' ' N ' ' A' ' 10' ' ' SER . . . -44.6 163.35 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.4 Cg_endo -74.98 150.56 38.45 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 1.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -73.11 134.48 44.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.01 -60.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.78 141.52 19.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.09 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.83 -65.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 1.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -147.1 -61.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.587 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.99 -56.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 110.232 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.334 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.097 -0.801 . . . . 1.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 53.22 78.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 1.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.89 -142.03 12.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.19 -55.88 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 1.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -120.93 122.0 39.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD1' ' HA2' ' A' ' 14' ' ' GLY . 1.3 pp -89.46 43.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 1.128 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB3' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' HE ' ' A' ' 50' ' ' ARG . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.766 ' O ' HD11 ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG21 HD12 ' A' ' 79' ' ' LEU . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.908 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.505 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.921 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.777 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.626 ' HE ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB2' HD23 ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 66' ' ' GLY . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' THR . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.158 ' CG2' HD21 ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.724 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.128 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.158 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.815 ' ND1' HD21 ' A' ' 93' ' ' LEU . 35.2 m80 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 89' ' ' VAL . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 ' ND1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.655 HG23 ' HE2' ' A' ' 33' ' ' PHE . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.755 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.755 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -79.89 115.17 52.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 1.0 109.223 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 92.12 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 1.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.81 175.84 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 1.0 109.327 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.607 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -118.24 -28.16 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.425 1.078 . . . . 1.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.607 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -18.18 104.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.976 HD13 ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -79.82 140.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 1.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.976 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -83.74 79.31 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.586 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HB2' HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -141.7 -56.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.294 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 116.975 -1.488 . . . . 1.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.73 -59.05 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 0.757 . . . . 1.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' ASN . . . 71.94 -72.07 0.91 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.408 1.068 . . . . 1.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p-10 -40.35 123.61 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 176.41 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt 62.25 168.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 1.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.646 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 14.8 m170 -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 35' ' ' VAL . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 24' ' ' LEU . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.501 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.813 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.57 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 1.103 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.746 HG22 ' CD1' ' A' ' 47' ' ' ILE . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.757 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.661 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' CB ' ' A' ' 22' ' ' GLU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.928 HG21 HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 67' ' ' LYS . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 62' ' ' THR . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.928 HD23 HG21 ' A' ' 60' ' ' ILE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.717 HG12 ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.694 ' CG2' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 70' ' ' VAL . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG13 HD13 ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 16.8 t-80 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.985 ' HB3' HD12 ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' OG ' ' A' ' 87' ' ' SER . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 70' ' ' VAL . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.985 HD12 ' HB3' ' A' ' 86' ' ' HIS . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.103 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.815 HD13 HG13 ' A' ' 83' ' ' VAL . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 22.7 t-80 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.813 ' CE1' HD13 ' A' ' 29' ' ' ILE . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.99 89.52 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.43 135.01 9.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.01 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -69.1 174.53 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.418 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.48 85.37 5.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.63 73.43 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 1.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.0 mm -117.34 146.18 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.583 0.814 . . . . 1.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -169.48 143.03 2.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 1.0 109.668 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 -56.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 1.0 110.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.077 -1.439 . . . . 1.0 109.283 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -66.46 -58.26 5.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 0.723 . . . . 1.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.79 70.32 3.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 1.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.72 141.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -50.44 -60.7 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.09 103.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.944 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 101' ' ' ALA . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.66 ' NE1' HG11 ' A' ' 83' ' ' VAL . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD21 HH21 ' A' ' 36' ' ' ARG . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 ' NE ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.893 HG11 ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.66 HH21 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.684 HG13 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.725 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.653 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 47' ' ' ILE . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.852 HG11 HD23 ' A' ' 93' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.893 ' HG ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.944 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.693 HD11 ' CG2' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.094 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 1.084 ' CD2' HD21 ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.084 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' H ' ' A' ' 95' ' ' THR . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.665 ' H ' HG23 ' A' ' 94' ' ' ILE . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.094 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 62.0 t-80 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.91 51.66 2.81 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.629 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -70.89 114.48 27.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.67 42.63 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 1.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.611 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -99.23 151.58 20.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 119.44 19.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 1.0 110.373 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.02 -160.44 35.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.812 HG23 ' HG2' ' A' ' 108' ' ' ARG . 13.8 tt -109.95 42.4 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 106' ' ' ILE . 6.6 p80 37.14 66.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 1.0 109.682 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 106' ' ' ILE . 2.8 mmt180 -113.98 107.55 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.943 -1.504 . . . . 1.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' CZ ' ' A' ' 108' ' ' ARG . 6.0 m -118.99 -61.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.763 . . . . 1.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.63 149.36 7.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 62.87 116.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 0.823 . . . . 1.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.64 -73.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER 70.95 135.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 1.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.717 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 79' ' ' LEU . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.999 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 79' ' ' LEU . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' HB ' HD21 ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.471 HD11 HD12 ' A' ' 47' ' ' ILE . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.746 HG23 HD11 ' A' ' 82' ' ' LEU . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 97' ' ' LEU . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.943 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.943 HD12 ' HB3' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.058 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.058 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.845 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 55.37 3.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -76.38 114.7 40.64 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 1.0 109.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 144.49 30.61 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.455 1.766 . . . . 1.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' CE ' ' HB3' ' A' ' 13' ' ' HIS . 1.8 mmtt -66.7 148.31 52.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 109.216 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.23 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 1.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.78 82.37 0.26 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 1.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -109.81 123.8 65.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.481 0.754 . . . . 1.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 106' ' ' ILE . 2.3 p80 -37.66 124.7 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 1.0 109.668 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.493 ' CZ ' ' OG ' ' A' ' 2' ' ' SER . 1.7 mmm180 -148.54 164.78 33.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.392 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.17 78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.409 0.711 . . . . 1.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.57 164.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.92 172.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 1.0 109.267 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.597 ' OG ' ' CE1' ' A' ' 12' ' ' TYR . 41.8 t -71.63 -58.35 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 68.35 161.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.373 1.045 . . . . 1.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.781 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.828 HG13 ' HG2' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD11 HH11 ' A' ' 104' ' ' ARG . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.724 HD12 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.526 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.77 ' HE2' HG21 ' A' ' 83' ' ' VAL . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.828 ' HG2' HG13 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' NE ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.669 HG22 ' H ' ' A' ' 61' ' ' ASN . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.669 ' H ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 67' ' ' LYS . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' O ' HG23 ' A' ' 62' ' ' THR . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD21 ' NE ' ' A' ' 45' ' ' ARG . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.782 HG11 HD23 ' A' ' 93' ' ' LEU . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.781 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' HG22 ' A' ' 78' ' ' THR . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.792 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 1.014 ' CD2' HD21 ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.507 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.507 HG23 HG23 ' A' ' 88' ' ' THR . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.014 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.709 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.946 HG22 HD13 ' A' ' 49' ' ' LEU . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.818 ' N ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.417 ' CE1' ' O ' ' A' ' 96' ' ' THR . 1.2 m80 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . . . -42.03 132.27 2.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 17.9 Cg_endo -75.02 -178.35 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 1.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -79.17 -179.52 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.694 HH11 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -69.71 -56.56 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 1.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.7 58.78 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.9 mt -88.97 105.58 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 1.0 109.226 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -106.8 68.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.08 167.95 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 1.0 110.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.012 -1.47 . . . . 1.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 162.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 1.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . 164.83 73.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.469 1.106 . . . . 1.0 111.018 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 5' ' ' SER . 8.6 p30 43.65 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 1.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 4' ' ' ASN . 42.6 m 68.41 -58.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 1.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 4' ' ' ASN . 3.3 mm? -70.1 58.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 44.1 m170 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 101' ' ' ALA . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.847 ' CZ3' HD23 ' A' ' 79' ' ' LEU . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' O ' ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.759 HG11 HD12 ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 1.009 ' CE2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.049 HG21 HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.611 ' CG ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.853 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.609 HD12 HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 48' ' ' SER . 80.7 m-70 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' LYS . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.516 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.049 HD21 HG21 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.857 ' H ' HG23 ' A' ' 78' ' ' THR . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.636 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.059 HG13 HD13 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.694 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.676 ' HE1' ' HB2' ' A' ' 91' ' ' ASP . 16.3 t-80 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 36.7 m170 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.676 ' HB2' ' HE1' ' A' ' 85' ' ' HIS . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.516 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.774 HG23 ' H ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.774 ' H ' HG23 ' A' ' 94' ' ' ILE . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.557 ' N ' HG23 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.059 HD13 HG13 ' A' ' 83' ' ' VAL . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo -74.97 12.72 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.591 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . -65.83 164.13 30.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -74.98 141.47 26.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 1.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE2' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -72.08 172.06 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -74.42 104.15 5.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 110.285 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -47.82 -98.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.437 1.086 . . . . 1.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.686 ' C ' HD13 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -129.08 110.25 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.621 ' N ' HD13 ' A' ' 106' ' ' ILE . 9.7 p80 -69.23 82.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.553 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -56.73 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.997 -1.477 . . . . 1.0 109.353 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 -60.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 1.0 110.074 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.29 99.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 175.87 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 1.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -54.5 -55.23 31.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 110.01 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -81.19 53.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 102' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.869 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.58 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 5.5 p-80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 35' ' ' VAL . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 34' ' ' LEU . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.77 HD21 ' NE ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.558 ' H ' HD12 ' A' ' 25' ' ' LEU . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.759 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.782 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.733 HD13 ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.473 HD12 ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.77 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.627 HG23 ' NH1' ' A' ' 50' ' ' ARG . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.488 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 HD23 ' A' ' 93' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.811 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 70' ' ' VAL . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.869 HG11 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' A' ' 93' ' ' LEU . 51.9 m170 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' H ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 49' ' ' LEU . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.782 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.674 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.95 39.42 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -78.4 113.79 37.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 1.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.48 ' N ' ' HB3' ' A' ' 10' ' ' SER . 18.0 Cg_endo -75.08 109.28 2.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -97.36 158.85 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.18 -57.86 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 1.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.9 -141.07 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 1.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ILE . 7.5 tp -115.44 111.97 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -64.5 -62.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 1.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 -57.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 1.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.042 -1.456 . . . . 1.0 109.33 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 40.7 83.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 0.796 . . . . 1.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.69 138.66 46.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' C ' HD23 ' A' ' 6' ' ' LEU . 18.7 m120 -150.42 -55.12 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 1.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 t -97.16 86.22 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.5 46.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 1.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.75 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' ' O ' ' A' ' 101' ' ' ALA . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.75 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.566 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 HD12 ' A' ' 34' ' ' LEU . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' SER . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.903 HD11 ' CD ' ' A' ' 50' ' ' ARG . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.931 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.841 HG23 HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.554 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.708 ' HG2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.841 HG13 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.862 HD12 HG22 ' A' ' 95' ' ' THR . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.903 ' CD ' HD11 ' A' ' 25' ' ' LEU . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG2' HD22 ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' HG21 ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.477 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.744 ' CG2' HD23 ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.893 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.636 ' O ' HD12 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.893 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.814 HG11 HD13 ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.57 ' CG ' ' CD2' ' A' ' 93' ' ' LEU . 36.6 m80 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 97' ' ' LEU . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 89' ' ' VAL . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 89' ' ' VAL . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.814 HD13 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.773 HG23 ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 1.057 HG22 ' HB2' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.877 ' HG ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.0 Cg_endo -75.12 12.89 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -77.26 148.37 77.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 1.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HB2' HG21 ' A' ' 106' ' ' ILE . 18.5 Cg_endo -74.98 154.48 42.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.73 -175.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.334 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -71.89 -25.46 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -33.31 -46.18 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 1.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' A' ' 102' ' ' PRO . 0.5 OUTLIER -73.85 -68.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.454 0.738 . . . . 1.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 115.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -152.84 159.67 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 116.981 -1.485 . . . . 1.0 109.292 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.84 146.79 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 1.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.7 -58.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.0 t30 53.76 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 1.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -60.17 168.21 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.55 71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' HG21 ' A' ' 78' ' ' THR . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.917 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 101' ' ' ALA . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 35' ' ' VAL . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 24' ' ' LEU . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.453 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.639 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.661 ' CB ' HD12 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.639 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.681 HG21 HD22 ' A' ' 68' ' ' LEU . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 69' ' ' TYR . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 62' ' ' THR . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 HG21 ' A' ' 60' ' ' ILE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.548 HG21 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD11 ' CG2' ' A' ' 70' ' ' VAL . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 97' ' ' LEU . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' A' ' 93' ' ' LEU . 62.9 m170 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 86' ' ' HIS . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.767 HD23 HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 83' ' ' VAL . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 57.4 t-80 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo -74.98 36.45 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -74.21 124.99 90.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.429 1.752 . . . . 1.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.55 144.62 39.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -93.21 99.73 12.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 1.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -35.87 133.8 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 1.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 106' ' ' ILE . 0.0 OUTLIER -69.25 -41.46 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 1.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.627 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -156.25 161.4 40.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.683 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.627 ' HD2' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER 62.91 84.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.319 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.907 -1.52 . . . . 1.0 109.291 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.532 1.11 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.3 p 81.97 -52.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 0.832 . . . . 1.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.49 59.5 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.5 167.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 1.0 109.25 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.6 77.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 1.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 39.51 49.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.958 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.614 ' CE1' ' HZ1' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.621 HD22 ' OG ' ' A' ' 32' ' ' SER . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD2' ' HE1' ' A' ' 13' ' ' HIS . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' HG ' ' HB2' ' A' ' 34' ' ' LEU . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.892 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.804 ' CB ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG22 ' CB ' ' A' ' 50' ' ' ARG . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.121 HG21 HD23 ' A' ' 68' ' ' LEU . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 67' ' ' LYS . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.121 HD23 HG21 ' A' ' 60' ' ' ILE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.854 HG11 ' CD2' ' A' ' 93' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.875 ' CD2' HD21 ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 91' ' ' ASP . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB3' HG22 ' A' ' 96' ' ' THR . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.875 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.722 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.895 HG22 ' HB3' ' A' ' 90' ' ' ALA . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' A' ' 83' ' ' VAL . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.0 84.66 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . . . -45.04 151.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.224 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 154.29 42.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.375 1.724 . . . . 1.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.707 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -80.57 104.91 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 1.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 130.32 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.24 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.86 162.33 22.4 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.416 1.072 . . . . 1.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.7 mt -134.17 66.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 0.719 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 1.9 p-80 39.11 58.25 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 1.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.38 106.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.04 -1.457 . . . . 1.0 109.298 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -75.86 78.38 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 1.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -116.27 58.9 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.557 1.16 . . . . 1.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.36 -64.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.773 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 3' ' ' GLY . 52.4 p -114.82 157.74 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 1.0 109.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -79.04 73.47 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 109.378 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 29' ' ' ILE . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.874 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.77 ' O ' HD21 ' A' ' 68' ' ' LEU . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.76 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.583 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.745 HD12 HH11 ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.558 ' C ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.811 HD13 ' HB3' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.72 ' HB2' HD21 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.76 HD12 ' CD ' ' A' ' 45' ' ' ARG . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 43' ' ' GLY . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HD13 ' A' ' 93' ' ' LEU . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' ND2' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 70' ' ' VAL . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.577 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.545 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 88' ' ' THR . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.978 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.64 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -75.05 95.74 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -41.02 162.61 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.6 Cg_endo -74.85 139.7 25.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.428 1.751 . . . . 1.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 154.62 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -97.0 133.5 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 110.317 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -38.42 153.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.577 1.173 . . . . 1.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -90.1 124.59 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 1.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -90.42 63.11 5.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 1.0 109.601 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 64.89 -67.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 1.0 110.369 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.821 ' HB2' HD11 ' A' ' 106' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.967 -1.492 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p 50.23 78.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 1.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.92 70.38 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 1.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -53.39 100.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.757 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m 39.23 82.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 1.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.28 89.2 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 1.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.6 ' HD3' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' HD3' ' A' ' 8' ' ' LYS . 13.6 m170 -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 100' ' ' PRO . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 37' ' ' GLU . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.942 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.014 HD23 ' HD2' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.646 ' H ' HD12 ' A' ' 25' ' ' LEU . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 47' ' ' ILE . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' ILE . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 1.014 ' HD2' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.942 HG21 ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 45' ' ' ARG . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.758 ' HB3' HG23 ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD13 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.745 ' ND1' HD21 ' A' ' 93' ' ' LEU . 35.8 m170 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 HG13 ' A' ' 83' ' ' VAL . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.532 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo -75.01 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . . . -46.21 107.82 0.74 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 150.63 37.92 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.511 1.795 . . . . 1.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.518 ' CD ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 mmmt -71.42 107.09 4.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.08 -56.54 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.31 -110.5 3.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.48 1.112 . . . . 1.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.0 tp -115.35 155.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.77 92.75 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.3 ptm180 -129.32 -39.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 19.5 p-10 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.063 -1.446 . . . . 1.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 81.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 1.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.84 67.08 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.422 1.076 . . . . 1.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -55.08 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 1.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -75.6 -159.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.35 -156.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.229 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.724 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.057 ' HB2' ' NH2' ' A' ' 36' ' ' ARG . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.73 ' HE2' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' HE ' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.057 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 1.039 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.668 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.758 HD13 ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.836 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' HD23 ' A' ' 25' ' ' LEU . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.039 HD12 ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 66' ' ' GLY . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.078 HG23 HD11 ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.229 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.597 ' H ' HG22 ' A' ' 78' ' ' THR . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.078 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.082 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CG ' ' HG ' ' A' ' 93' ' ' LEU . 36.2 m170 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 89' ' ' VAL . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.84 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.84 ' N ' HD13 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.082 HD22 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo -74.97 89.63 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . . . -66.37 153.49 92.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.42 29.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 1.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -89.23 88.61 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.22 135.64 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.05 62.37 0.2 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.574 1.171 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -80.23 108.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.357 0.681 . . . . 1.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER 74.37 -60.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.601 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.37 -55.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 1.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.71 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 1.1 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.936 -1.507 . . . . 1.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -130.17 79.0 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.628 0.84 . . . . 1.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 100.78 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.552 ' ND2' ' CB ' ' A' ' 37' ' ' GLU . 1.4 t30 -40.55 107.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 1.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.619 ' O ' HD23 ' A' ' 6' ' ' LEU . 20.2 p -170.1 169.86 7.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 1.0 109.921 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER 82.81 140.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.838 ' HZ3' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.665 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 13' ' ' HIS . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.85 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 30' ' ' ASN . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.544 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.868 HG21 HD13 ' A' ' 79' ' ' LEU . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.552 ' CB ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.837 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.639 ' CG ' HD12 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD2' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.717 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 93' ' ' LEU . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.868 HD13 HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 97' ' ' LEU . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.622 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.926 ' HA ' HD21 ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.463 HG23 ' OG ' ' A' ' 87' ' ' SER . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.506 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.775 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.775 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.466 ' ND1' HD11 ' A' ' 29' ' ' ILE . 66.1 t-80 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.98 78.03 2.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.4 100.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 100' ' ' PRO . 18.0 Cg_endo -75.1 -179.0 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 1.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.665 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -94.65 156.99 16.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 1.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 84.09 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.33 -117.84 3.76 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.122 . . . . 1.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.645 HG22 ' CD2' ' A' ' 107' ' ' HIS . 42.2 mm -108.41 -71.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.645 ' CD2' HG22 ' A' ' 106' ' ' ILE . 3.8 p80 176.81 55.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.602 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.3 61.04 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.98 -1.486 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' N ' HH22 ' A' ' 45' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p 51.93 175.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 0.733 . . . . 1.0 110.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . -107.38 -121.99 4.78 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 1.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.3 p30 41.3 45.03 2.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 1.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 13.4 t 65.89 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 1.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -176.94 -27.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 1.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.61 ' OE1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.997 ' CH2' HD12 ' A' ' 79' ' ' LEU . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.612 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG12 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 21' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD13 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 1.143 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 79' ' ' LEU . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' NE ' ' OH ' ' A' ' 12' ' ' TYR . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.889 HD13 ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.625 ' CG2' HD22 ' A' ' 68' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 67' ' ' LYS . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 ' CG2' ' A' ' 60' ' ' ILE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.001 HG11 HD13 ' A' ' 93' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.997 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG13 HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.54 ' ND1' ' CD2' ' A' ' 93' ' ' LEU . 32.6 m170 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 85' ' ' HIS . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' VAL . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.001 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.889 ' CG1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.143 HG23 ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 1.001 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 18.1 t-80 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CE2' HD13 ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.5 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -74.92 80.63 2.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -52.16 108.78 1.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 117.16 4.81 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 1.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE2' ' CG ' ' A' ' 13' ' ' HIS . 7.6 mmmt -91.3 62.76 4.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.82 120.72 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -125.39 169.76 17.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.087 . . . . 1.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 107' ' ' HIS . 20.1 tt -78.81 -55.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 1.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' N ' HG23 ' A' ' 106' ' ' ILE . 10.4 p80 -175.72 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.02 108.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.007 -1.473 . . . . 1.0 109.3 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 1.0 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.58 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.853 ' CH2' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 34' ' ' LEU . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.715 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.698 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.534 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 32' ' ' SER . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.732 ' HB3' HD12 ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.925 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.097 HG22 ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.097 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.892 ' HG3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 22' ' ' GLU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.656 ' CE2' HD13 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.715 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 65.7 m-70 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD11 ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.466 HG23 HD23 ' A' ' 68' ' ' LEU . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.64 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.64 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.438 ' H ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 97' ' ' LEU . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.823 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.8 m-70 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.518 HG22 HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 88' ' ' THR . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.442 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.656 HD13 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.648 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 83' ' ' VAL . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.3 t60 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.649 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG11 ' CD2' ' A' ' 24' ' ' LEU . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.748 ' CD2' HG11 ' A' ' 16' ' ' VAL . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.74 HD11 ' OG ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.961 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.775 HD21 ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.883 HG23 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.703 ' C ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.883 HD21 HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.97 HG21 HD23 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 66' ' ' GLY . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 60' ' ' ILE . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 82' ' ' LEU . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 82' ' ' LEU . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 89' ' ' VAL . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.681 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 95' ' ' THR . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.931 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.961 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 37.1 t60 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.712 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 8' ' ' LYS . 2.8 m-70 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.77 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 36' ' ' ARG . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.827 HG21 ' HD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.696 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB3' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HE ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.962 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' HD22 ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.568 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 62' ' ' THR . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.124 HG23 HD11 ' A' ' 82' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.764 ' HD1' HD12 ' A' ' 82' ' ' LEU . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.124 HD11 HG23 ' A' ' 70' ' ' VAL . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.482 ' OG ' HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' OG ' ' A' ' 87' ' ' SER . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.926 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.705 HG23 ' H ' ' A' ' 95' ' ' THR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.705 ' H ' HG23 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.802 HD21 HG22 ' A' ' 83' ' ' VAL . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.827 ' HD2' HG21 ' A' ' 29' ' ' ILE . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.664 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.2 p80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 17' ' ' SER . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.664 HD22 ' CE1' ' A' ' 13' ' ' HIS . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 50' ' ' ARG . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 29' ' ' ILE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.787 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.72 ' CD ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.536 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.817 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.838 ' HB2' HD12 ' A' ' 49' ' ' LEU . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' NE2' HG13 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.59 HG23 HG22 ' A' ' 70' ' ' VAL . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 66' ' ' GLY . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 62' ' ' THR . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.841 HG11 HD23 ' A' ' 93' ' ' LEU . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.691 HD21 ' HG3' ' A' ' 45' ' ' ARG . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.687 ' H ' HG22 ' A' ' 78' ' ' THR . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.936 HG13 HD11 ' A' ' 97' ' ' LEU . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.66 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.841 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' H ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.744 ' H ' HG23 ' A' ' 94' ' ' ILE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.936 HD11 HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 1.2 m-70 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.472 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.839 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.883 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.68 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 16' ' ' VAL . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.608 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 29' ' ' ILE . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 25' ' ' LEU . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 1.01 ' CD ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.435 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.71 ' HB ' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.954 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.757 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 22' ' ' GLU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.021 HG23 HG22 ' A' ' 70' ' ' VAL . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.619 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.678 ' HB2' ' CD2' ' A' ' 69' ' ' TYR . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.765 HD13 HH12 ' A' ' 45' ' ' ARG . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.021 HG22 HG23 ' A' ' 60' ' ' ILE . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.883 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.057 ' CG1' HD13 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.4 t60 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.832 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.7 m-70 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 89' ' ' VAL . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.832 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.057 HD13 ' CG1' ' A' ' 83' ' ' VAL . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD1' ' HA2' ' A' ' 14' ' ' GLY . 1.3 pp . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 1.128 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.592 ' HD2' ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB3' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' HE ' ' A' ' 50' ' ' ARG . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.766 ' O ' HD11 ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG21 HD12 ' A' ' 79' ' ' LEU . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.908 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.505 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.921 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.777 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.626 ' HE ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB2' HD23 ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 66' ' ' GLY . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' THR . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.158 ' CG2' HD21 ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.724 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.128 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.158 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 1.015 ' CD2' HD21 ' A' ' 93' ' ' LEU . 69.3 m-70 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 89' ' ' VAL . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.655 HG23 ' HE2' ' A' ' 33' ' ' PHE . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.755 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.755 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HZ2' ' HB2' ' A' ' 80' ' ' ALA . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 24' ' ' LEU . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.501 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.813 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.57 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 1.103 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.746 HG22 ' CD1' ' A' ' 47' ' ' ILE . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.757 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.661 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' CB ' ' A' ' 22' ' ' GLU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.928 HG21 HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 67' ' ' LYS . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 62' ' ' THR . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.928 HD23 HG21 ' A' ' 60' ' ' ILE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.717 HG12 ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.694 ' CG2' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 70' ' ' VAL . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG13 HD13 ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 53.3 t60 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.985 ' HB3' HD12 ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' OG ' ' A' ' 87' ' ' SER . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.444 ' CG1' ' CE1' ' A' ' 85' ' ' HIS . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 70' ' ' VAL . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.985 HD12 ' HB3' ' A' ' 86' ' ' HIS . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.103 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.815 HD13 HG13 ' A' ' 83' ' ' VAL . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 75.8 t60 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.813 ' CE1' HD13 ' A' ' 29' ' ' ILE . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.944 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.487 ' O ' ' C ' ' A' ' 100' ' ' PRO . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.66 ' NE1' HG11 ' A' ' 83' ' ' VAL . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD21 HH21 ' A' ' 36' ' ' ARG . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 ' NE ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.3 t-20 -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.893 HG11 ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.66 HH21 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.684 HG13 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.725 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.653 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 47' ' ' ILE . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.852 HG11 HD23 ' A' ' 93' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.893 ' HG ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.944 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.693 HD11 ' CG2' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.094 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 1.084 ' CD2' HD21 ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.084 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' H ' ' A' ' 95' ' ' THR . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.665 ' H ' HG23 ' A' ' 94' ' ' ILE . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.094 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 28.1 t60 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.717 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 79' ' ' LEU . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.561 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.999 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 79' ' ' LEU . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' HB ' HD21 ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.471 HD11 HD12 ' A' ' 47' ' ' ILE . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.746 HG23 HD11 ' A' ' 82' ' ' LEU . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.746 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 97' ' ' LEU . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.943 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.943 HD12 ' HB3' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.058 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.058 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.845 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.781 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.583 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.828 HG13 ' HG2' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.724 HD12 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 98' ' ' HIS . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.526 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.77 ' HE2' HG21 ' A' ' 83' ' ' VAL . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.828 ' HG2' HG13 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' NE ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.669 HG22 ' H ' ' A' ' 61' ' ' ASN . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.669 ' H ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 67' ' ' LYS . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.629 ' O ' HG23 ' A' ' 62' ' ' THR . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD21 ' NE ' ' A' ' 45' ' ' ARG . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.782 HG11 HD23 ' A' ' 93' ' ' LEU . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.781 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' HG22 ' A' ' 78' ' ' THR . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.792 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 1.014 ' CD2' HD21 ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.507 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.507 HG23 HG23 ' A' ' 88' ' ' THR . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.014 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.709 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.946 HG22 HD13 ' A' ' 49' ' ' LEU . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.818 ' N ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HD2' ' C ' ' A' ' 31' ' ' GLY . 4.0 m-70 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 2.0 m-70 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 13' ' ' HIS . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.847 ' CZ3' HD23 ' A' ' 79' ' ' LEU . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 10' ' ' SER . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.759 HG11 HD12 ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 1.009 ' CE2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.049 HG21 HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.611 ' CG ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.853 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.609 HD12 HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.604 ' CE1' ' HG2' ' A' ' 18' ' ' ARG . 33.8 m80 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' LYS . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.516 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.049 HD21 HG21 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.857 ' H ' HG23 ' A' ' 78' ' ' THR . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.636 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.059 HG13 HD13 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.694 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.528 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 55.3 t60 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 16.4 m-70 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.516 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.774 HG23 ' H ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.774 ' H ' HG23 ' A' ' 94' ' ' ILE . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.557 ' N ' HG23 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.059 HD13 HG13 ' A' ' 83' ' ' VAL . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.869 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 2.2 p80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 35' ' ' VAL . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 34' ' ' LEU . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.77 HD21 ' NE ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.558 ' H ' HD12 ' A' ' 25' ' ' LEU . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.759 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.782 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.733 HD13 ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.473 HD12 ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.77 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.627 HG23 ' NH1' ' A' ' 50' ' ' ARG . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.488 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 HD23 ' A' ' 93' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.811 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 70' ' ' VAL . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.869 HG11 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.838 ' CD2' HD21 ' A' ' 93' ' ' LEU . 7.2 m-70 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' H ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 49' ' ' LEU . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.782 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.674 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.75 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.75 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 HD12 ' A' ' 34' ' ' LEU . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' SER . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.903 HD11 ' CD ' ' A' ' 50' ' ' ARG . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.931 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.841 HG23 HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.554 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.708 ' HG2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.841 HG13 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.862 HD12 HG22 ' A' ' 95' ' ' THR . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.903 ' CD ' HD11 ' A' ' 25' ' ' LEU . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG2' HD22 ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' HG21 ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.477 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.744 ' CG2' HD23 ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.893 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.636 ' O ' HD12 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.893 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.814 HG11 HD13 ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.736 ' CD2' HD21 ' A' ' 93' ' ' LEU . 71.5 m-70 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 97' ' ' LEU . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 89' ' ' VAL . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 89' ' ' VAL . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.814 HD13 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.773 HG23 ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 1.057 HG22 ' HB2' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.877 ' HG ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' HG21 ' A' ' 78' ' ' THR . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.917 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' PRO . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 35' ' ' VAL . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.604 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 24' ' ' LEU . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.453 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.639 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.661 ' CB ' HD12 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.639 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.681 HG21 HD22 ' A' ' 68' ' ' LEU . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 69' ' ' TYR . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 62' ' ' THR . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 HG21 ' A' ' 60' ' ' ILE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.548 HG21 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD11 ' CG2' ' A' ' 70' ' ' VAL . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 97' ' ' LEU . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.775 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.9 m-70 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 83' ' ' VAL . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 7.9 t60 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.958 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.621 HD22 ' OG ' ' A' ' 32' ' ' SER . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' ' HG ' ' A' ' 48' ' ' SER . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' HG ' ' HB2' ' A' ' 34' ' ' LEU . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.892 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.804 ' CB ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG22 ' CB ' ' A' ' 50' ' ' ARG . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.121 HG21 HD23 ' A' ' 68' ' ' LEU . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 67' ' ' LYS . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.121 HD23 HG21 ' A' ' 60' ' ' ILE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.854 HG11 ' CD2' ' A' ' 93' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.875 ' CD2' HD21 ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 91' ' ' ASP . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB3' HG22 ' A' ' 96' ' ' THR . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.875 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.722 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.895 HG22 ' HB3' ' A' ' 90' ' ' ALA . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' A' ' 83' ' ' VAL . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 29' ' ' ILE . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.874 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.77 ' O ' HD21 ' A' ' 68' ' ' LEU . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.76 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.583 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.745 HD12 HH11 ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.558 ' C ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.811 HD13 ' HB3' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.72 ' HB2' HD21 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.76 HD12 ' CD ' ' A' ' 45' ' ' ARG . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 43' ' ' GLY . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HD13 ' A' ' 93' ' ' LEU . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' ND2' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 70' ' ' VAL . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.577 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.545 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 88' ' ' THR . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.978 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.64 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.617 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.617 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 37' ' ' GLU . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.942 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.014 HD23 ' HD2' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.646 ' H ' HD12 ' A' ' 25' ' ' LEU . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 47' ' ' ILE . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' ILE . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 1.014 ' HD2' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.942 HG21 ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 45' ' ' ARG . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.758 ' HB3' HG23 ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD13 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.945 ' CD2' HD21 ' A' ' 93' ' ' LEU . 21.0 m-70 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.945 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.652 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 HG13 ' A' ' 83' ' ' VAL . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.532 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 1.229 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.724 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.057 ' HB2' ' NH2' ' A' ' 36' ' ' ARG . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.73 ' HE2' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' HE ' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.057 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 1.039 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.668 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.758 HD13 ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.836 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' HD23 ' A' ' 25' ' ' LEU . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.039 HD12 ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 66' ' ' GLY . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.078 HG23 HD11 ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.229 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.597 ' H ' HG22 ' A' ' 78' ' ' THR . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.078 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.082 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.606 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 16.0 m-70 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 89' ' ' VAL . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.84 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.84 ' N ' HD13 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.082 HD22 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.838 ' HZ3' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 13' ' ' HIS . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.85 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 98' ' ' HIS . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.544 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.868 HG21 HD13 ' A' ' 79' ' ' LEU . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.837 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.639 ' CG ' HD12 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD2' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.717 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 93' ' ' LEU . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.868 HD13 HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 97' ' ' LEU . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.622 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.926 ' HA ' HD21 ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.463 HG23 ' OG ' ' A' ' 87' ' ' SER . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.506 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.775 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.775 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.666 ' CD2' HD11 ' A' ' 29' ' ' ILE . 10.0 t60 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.61 ' OE1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.997 ' CH2' HD12 ' A' ' 79' ' ' LEU . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.573 HG12 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 21' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.758 HD13 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 1.143 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 79' ' ' LEU . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' NE ' ' OH ' ' A' ' 12' ' ' TYR . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.889 HD13 ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.625 ' CG2' HD22 ' A' ' 68' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 67' ' ' LYS . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 ' CG2' ' A' ' 60' ' ' ILE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.001 HG11 HD13 ' A' ' 93' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.997 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG13 HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.742 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 26.3 m-70 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 85' ' ' HIS . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' VAL . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.001 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.889 ' CG1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.143 HG23 ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 1.001 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 67.7 t60 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CE2' HD13 ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.5 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -69.32 100.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 1.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.24 -49.41 0.86 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 1.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -108.95 -44.49 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 1.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p 54.96 171.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 1.0 110.004 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -115.75 158.17 23.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 66.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 1.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 1.3 tmtp? -57.63 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 109.236 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.58 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.1 -177.39 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 10.0 t -80.02 7.33 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.853 ' CH2' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -126.74 9.69 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.585 ' CD2' ' CB ' ' A' ' 8' ' ' LYS . 1.2 t80 -113.18 94.65 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 6.0 p80 -105.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 1.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.43 -165.57 37.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 1.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 18.2 Cg_endo -75.08 129.84 12.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.47 1.774 . . . . 1.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 34' ' ' LEU . 3.0 p -145.57 113.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 1.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -63.19 143.33 57.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 1.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.715 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.1 ptt85 -55.92 -48.55 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.39 1.057 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -44.37 -59.57 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 24' ' ' LEU . . . -61.07 -27.88 68.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 1.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -65.94 -67.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.698 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -61.93 -31.92 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 1.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 19.9 t80 -77.44 -67.18 0.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 1.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.6 tt -55.84 -70.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -56.76 106.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -71.62 -12.42 61.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.982 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.534 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 27.3 m 61.76 122.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.41 1.069 . . . . 1.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.59 73.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 1.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 32' ' ' SER . 1.0 OUTLIER -152.81 -174.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 1.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.43 -12.49 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 1.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 131.41 106.98 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 1.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.732 ' HB3' HD12 ' A' ' 29' ' ' ILE . 4.7 p -137.68 128.3 26.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 1.0 110.004 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.925 ' HD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -105.02 161.72 13.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 110.958 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -152.2 136.01 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.097 HG22 ' CD1' ' A' ' 47' ' ' ILE . 85.4 t -83.49 146.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.0 109.359 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.96 170.7 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -123.9 -165.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 1.0 110.292 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -40.63 131.14 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 1.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.01 -48.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 t -131.6 6.97 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 1.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.0 148.52 67.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.99 4.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 1.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.95 75.87 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 1.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -136.31 153.05 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' NH1' ' OE2' ' A' ' 37' ' ' GLU . 2.7 mpt_? -129.44 132.96 47.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 1.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 34.0 m -128.9 176.33 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.097 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -125.3 126.89 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 1.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -114.61 134.94 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 1.0 110.001 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -120.42 136.84 54.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 1.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.892 ' HG3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -118.49 119.1 33.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 1.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -93.42 -156.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.949 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 22.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . 149.08 -19.28 1.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.15 157.12 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.776 . . . . 1.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 22' ' ' GLU . 2.5 t -135.95 113.61 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.656 ' CE2' HD13 ' A' ' 94' ' ' ILE . 43.5 m-85 -98.8 156.16 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.715 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 65.7 m-70 -125.39 112.73 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 1.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -129.25 86.62 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.928 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.0 164.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD11 ' CD2' ' A' ' 79' ' ' LEU . 12.2 mm -66.73 -46.94 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 61.6 t-20 71.6 124.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.466 HG23 HD23 ' A' ' 68' ' ' LEU . 3.4 m -109.46 158.37 18.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 1.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.64 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -89.88 -170.07 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 1.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 p -91.28 34.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 1.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -149.85 -54.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.19 -39.85 0.18 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.64 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -43.54 152.54 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 1.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 7.1 mt -103.9 102.99 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -114.85 121.51 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 1.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 93' ' ' LEU . 75.6 t -76.87 -46.77 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' SER . 30.3 t -94.44 -68.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER 154.52 -26.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 1.0 109.965 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.61 -4.47 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.602 ' OG ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -131.19 67.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.991 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 145.12 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 1.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 74' ' ' SER . 52.6 m-85 -136.37 -165.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 1.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -134.97 -42.76 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 1.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -109.99 142.51 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 1.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.853 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.1 tm? -45.29 -50.84 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . . . -42.98 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.438 ' H ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -43.5 -27.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 110.23 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.46 -52.68 20.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 97' ' ' LEU . 87.5 t -66.43 -41.94 89.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.44 -56.36 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 64.8 t60 -71.13 -43.5 67.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 1.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.823 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.8 m-70 -74.31 12.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 1.0 109.564 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.9 t -90.9 -36.89 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.518 HG22 HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -119.78 -24.22 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 88' ' ' THR . 25.4 t -136.57 84.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.75 64.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' OD1' ' HB3' ' A' ' 71' ' ' SER . 0.0 OUTLIER -69.06 -11.74 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 1.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' CE1' ' A' ' 58' ' ' TYR . . . -111.38 -73.66 0.7 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.497 1.123 . . . . 1.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -69.65 131.74 45.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.656 HD13 ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -44.44 -84.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.603 1.189 . . . . 1.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.648 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -60.17 155.21 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 1.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.576 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 8.2 p -97.36 115.29 27.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 83' ' ' VAL . 2.5 mp -36.99 119.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 7.3 t60 -102.02 -79.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.651 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.1 p90 -150.65 107.87 3.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 1.0 111.029 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.09 89.74 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . . . -47.55 147.05 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -74.97 143.31 29.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 1.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.548 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -126.29 51.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.365 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -51.85 7.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' CZ ' ' A' ' 108' ' ' ARG . . . -110.73 77.19 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 1.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.75 HD13 ' HB2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -90.31 -40.75 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 1.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.75 ' HB2' HD13 ' A' ' 106' ' ' ILE . 0.0 OUTLIER 169.04 129.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 1.0 109.669 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' CZ ' ' HA2' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 177.84 71.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.954 -1.498 . . . . 1.0 109.324 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 28.9 m 66.16 -66.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 1.0 110.05 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . -44.93 138.2 5.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 1.0 111.053 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -152.13 -54.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 1.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p -103.46 44.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 109.937 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.0 144.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.3 mt-10 -75.95 67.52 2.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 110.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -48.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.649 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -83.37 173.45 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.557 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 101' ' ' ALA . 1.1 m -82.95 30.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 1.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.652 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 4.2 p-90 -148.29 6.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.006 -1.109 . . . . 1.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 1.8 t80 -123.19 114.5 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -118.68 15.51 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.607 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.43 175.31 17.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.444 1.09 . . . . 1.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 123.47 7.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 1.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG11 ' CD2' ' A' ' 24' ' ' LEU . 54.7 t -123.01 151.56 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 t -73.78 148.6 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -51.08 -39.16 55.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 1.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.443 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 12.3 m-80 -51.4 -62.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.31 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.85 -39.98 96.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 1.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -46.81 -41.27 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.333 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -34.92 67.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 1.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -75.67 -64.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.748 ' CD2' HG11 ' A' ' 16' ' ' VAL . 3.4 pp -52.68 -29.42 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.7 OUTLIER -52.71 86.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 1.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 m 28.39 -107.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 1.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.85 35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.936 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 75.0 1.09 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.74 HD11 ' OG ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -104.22 -176.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 1.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 98' ' ' HIS . 33.9 m120 -72.88 -3.41 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.13 130.86 1.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.779 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -143.88 136.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 1.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.961 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -134.49 107.27 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.949 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.775 HD21 ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.21 126.38 55.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 1.0 109.281 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 ' CG1' ' CE1' ' A' ' 12' ' ' TYR . 1.1 p -69.04 146.1 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 1.0 109.233 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -126.53 169.41 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 1.0 110.244 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -122.8 117.47 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -72.87 168.79 18.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.172 . . . . 1.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mp0 -126.85 -37.7 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -35.78 -36.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -112.17 141.69 25.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 109.929 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 58.94 5.0 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.445 1.76 . . . . 1.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.16 58.06 0.07 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.512 1.132 . . . . 1.0 111.044 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -133.04 154.96 50.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.214 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HG2' ' A' ' 37' ' ' GLU . 0.7 OUTLIER -121.41 168.43 11.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.26 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -134.81 -178.65 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.0 110.026 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.883 HG23 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.82 135.83 56.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.703 ' C ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.0 100.63 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.883 HD21 HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -100.84 144.03 30.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 1.0 109.375 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.779 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -111.71 133.18 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.309 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -109.26 -144.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 1.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.56 38.89 2.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 165.67 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 0.727 . . . . 1.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.26 149.09 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 1.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HE2' ' CD2' ' A' ' 51' ' ' TYR . 16.0 m-85 -123.26 130.6 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.0 m80 -118.23 89.63 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -117.27 123.58 46.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.959 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -52.96 167.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 1.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.97 HG21 HD23 ' A' ' 68' ' ' LEU . 3.9 mm -70.14 -121.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.642 ' OD1' ' CE1' ' A' ' 69' ' ' TYR . 29.3 t-20 167.91 119.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 66' ' ' GLY . 15.4 m -111.66 144.86 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 1.0 110.377 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -83.91 51.87 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' ALA . 57.5 p 36.9 32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 1.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' ALA . 16.4 t70 -138.53 -56.23 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.03 -53.81 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.558 1.161 . . . . 1.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.44 146.55 2.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 1.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 60' ' ' ILE . 6.6 mp -103.5 110.41 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 1.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CE1' ' OD1' ' A' ' 61' ' ' ASN . 7.2 p90 -126.24 119.28 27.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 82' ' ' LEU . 17.7 t -77.06 -29.45 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.518 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 45.6 t -116.05 -84.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.094 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 176.48 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 1.0 110.01 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -79.4 -1.05 35.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.54 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -131.82 67.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.78 146.89 25.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 1.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' A' ' 82' ' ' LEU . 25.2 m-85 -137.06 167.72 20.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 1.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -106.98 -33.76 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 p -121.57 151.33 40.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.103 . . . . 1.0 110.33 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.391 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -44.1 -62.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp0 -46.89 -33.36 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -64.29 -53.78 43.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -64.59 -39.6 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.02 -60.83 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.421 1.076 . . . . 1.0 109.55 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 89' ' ' VAL . 52.4 t60 -65.01 -48.14 74.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.681 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 18.3 m-70 -68.01 9.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 1.0 109.553 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 85' ' ' HIS . 11.8 t -78.37 -41.36 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 1.0 109.931 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 t -127.77 -10.18 5.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.362 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -136.45 68.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 1.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.69 72.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD2' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -72.06 -3.67 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 1.0 109.357 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -57.44 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.451 1.094 . . . . 1.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 86' ' ' HIS . 17.5 mt -65.06 147.82 52.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 1.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 95' ' ' THR . 0.8 OUTLIER -54.74 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.278 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.931 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -78.65 -148.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 1.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.75 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.2 p -137.6 120.89 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.961 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -23.32 132.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.077 . . . . 1.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 37.1 t60 -140.24 26.57 2.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 1.0 109.601 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.858 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -153.98 46.59 0.32 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.57 1.169 . . . . 1.0 110.908 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.712 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -75.12 11.48 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.523 1.802 . . . . 1.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -76.91 143.56 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 1.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -75.1 168.08 25.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 1.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -105.74 128.19 53.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 1.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.624 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -98.67 -48.01 5.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 1.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -69.58 91.19 0.32 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.362 1.039 . . . . 1.0 111.025 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 104' ' ' ARG . 2.7 mp -94.13 -63.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 1.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 3.2 p80 -175.48 59.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -140.13 129.26 23.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.935 ' O ' ' O ' ' A' ' 108' ' ' ARG . 71.8 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.002 -1.475 . . . . 1.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -79.59 -58.56 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 1.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -80.83 -61.52 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 1.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 3' ' ' GLY . 0.3 OUTLIER 39.9 -93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 109.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p -133.75 157.65 45.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 110.037 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? -166.41 171.75 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.21 65.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 1.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -48.17 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 1.0 109.362 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 8' ' ' LYS . 2.8 m-70 -105.45 -173.66 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 85.1 p -79.29 9.05 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 9.4 p-90 -123.28 -1.58 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.77 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -113.81 92.55 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.668 ' HB2' ' CE ' ' A' ' 103' ' ' LYS . 12.2 p80 -123.04 -5.29 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 1.0 109.6 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.12 -167.07 20.49 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 1.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 131.13 13.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.83 . . . . 1.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 36' ' ' ARG . 14.8 p -124.81 134.0 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.5 p -65.53 138.4 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 1.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -65.76 -38.63 89.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 1.0 110.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 40.3 m-80 -58.69 -65.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.98 -33.06 66.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -49.95 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 1.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -60.28 -34.43 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 1.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 33.2 t80 -65.93 -69.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -45.02 -51.24 10.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 1.0 109.192 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -66.78 74.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 1.0 109.318 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.6 t -97.95 103.09 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t 63.95 -89.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 1.0 110.003 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.01 -98.25 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.582 1.176 . . . . 1.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.827 HG21 ' HD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -110.48 153.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.607 0.828 . . . . 1.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -76.56 -0.73 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -164.07 112.62 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 1.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -153.53 142.87 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.395 0.703 . . . . 1.0 110.079 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.696 ' CE2' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.09 159.33 28.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -155.62 129.84 8.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 11' ' ' TRP . 60.7 t -88.18 146.1 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB3' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.73 -175.73 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 132.47 22.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 1.0 110.319 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 t -75.55 171.16 14.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p 41.55 48.09 3.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 1.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.77 158.32 45.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 1.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.6 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 1.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.17 49.4 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 1.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -104.01 145.02 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 1.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HE ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -125.29 159.71 31.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 1.0 110.235 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -118.31 175.03 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 1.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -134.22 132.43 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 1.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -119.86 100.8 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 109.973 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -103.48 156.38 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.962 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -136.8 137.63 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 1.0 110.302 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 4.2 t80 -120.0 -128.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -72.99 52.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 1.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 97.61 -27.43 18.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 1.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD2' ' CE2' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -76.05 147.07 38.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 0.753 . . . . 1.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' HD22 ' A' ' 25' ' ' LEU . 46.6 t -119.49 119.89 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 54' ' ' ARG . 21.6 m-85 -91.0 130.29 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -113.16 94.69 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.613 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -131.17 126.66 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 111.007 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 4.8 ptt-85 -74.41 154.85 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 1.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.568 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.8 mt -69.16 -13.01 16.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 69' ' ' TYR . 10.2 t30 59.37 147.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.1 m -121.39 157.5 30.35 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.451 1.094 . . . . 1.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -86.78 45.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 1.0 109.341 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ALA . 83.8 p 36.76 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 1.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' ALA . 30.7 m-20 -147.31 -53.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 1.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 62' ' ' THR . . . 176.37 -60.48 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 1.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.29 144.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 1.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.5 mp -103.07 114.37 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -129.95 123.48 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 1.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.124 HG23 HD11 ' A' ' 82' ' ' LEU . 11.6 t -85.7 -24.06 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 1.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -107.68 -71.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 1.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.3 p 160.63 -52.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.969 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.04 -0.64 57.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -122.3 49.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 1.0 109.987 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.445 ' H ' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -73.61 152.58 40.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 1.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.764 ' HD1' HD12 ' A' ' 82' ' ' LEU . 97.3 m-85 -139.7 130.19 25.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -67.39 -38.15 84.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -112.93 124.34 52.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -44.45 -50.19 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 1.0 109.215 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -45.52 -53.14 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.21 -34.76 47.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 1.0 110.31 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.124 HD11 HG23 ' A' ' 70' ' ' VAL . 1.1 tt -66.46 -58.34 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -52.88 -31.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.221 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -48.95 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 89' ' ' VAL . 31.5 t60 -71.69 -46.41 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 1.0 109.653 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 4.4 m-70 -66.88 -1.64 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.482 ' OG ' HG23 ' A' ' 88' ' ' THR . 0.9 OUTLIER -74.54 -38.84 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.987 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' OG ' ' A' ' 87' ' ' SER . 34.8 p -115.34 -30.51 6.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.0 110.374 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 61.6 t -129.5 85.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 1.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 86' ' ' HIS . . . -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' SER . 2.9 m-20 -78.24 44.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -178.18 -64.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.463 1.102 . . . . 1.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.926 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -70.93 138.74 50.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.813 . . . . 1.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.705 HG23 ' H ' ' A' ' 95' ' ' THR . 2.8 tt -45.36 -82.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.705 ' H ' HG23 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -78.16 175.41 10.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 110.428 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.563 ' N ' HG23 ' A' ' 95' ' ' THR . 2.5 p -107.01 131.17 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 1.0 110.416 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.802 HD21 HG22 ' A' ' 83' ' ' VAL . 1.4 mp -40.38 145.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 1.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.42 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 31.9 t60 -136.89 -78.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.827 ' HD2' HG21 ' A' ' 29' ' ' ILE . 11.6 m-30 -112.68 103.38 55.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 1.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' CB ' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.05 77.67 3.09 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.5 1.79 . . . . 1.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.574 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -43.6 116.85 2.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.9 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.57 1.826 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.668 ' CE ' ' HB2' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -105.28 122.8 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.33 92.05 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.45 129.55 9.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.417 1.073 . . . . 1.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.794 HG22 ' H ' ' A' ' 108' ' ' ARG . 97.0 mt -106.16 -57.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 3.0 p-80 47.2 25.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 1.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.794 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER 39.93 -93.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.344 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 108' ' ' ARG . 1.2 t70 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.993 -1.479 . . . . 1.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -92.51 133.97 35.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 1.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.42 -79.75 0.16 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.541 1.151 . . . . 1.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -134.75 162.21 33.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.707 . . . . 1.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.476 ' OG ' HD23 ' A' ' 6' ' ' LEU . 86.9 p -130.81 164.88 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 1.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 12' ' ' TYR . 0.5 OUTLIER 43.61 40.09 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.84 69.29 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -58.51 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -68.42 -179.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 1.0 109.566 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 1.9 p -77.98 3.37 14.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 1.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.6 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.7 p-90 -120.55 1.25 10.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -120.11 115.77 24.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 1.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.827 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 2.2 p80 -122.85 -61.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.544 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . -166.14 157.6 30.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 1.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' CB ' ' OE1' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.01 124.15 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.426 1.751 . . . . 1.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 17' ' ' SER . 41.5 t -150.44 166.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.647 1.217 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 16' ' ' VAL . 8.3 t -74.49 149.95 40.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.625 1.203 . . . . 1.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.8 ptp180 -44.85 -31.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -44.31 -58.63 2.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.447 1.092 . . . . 1.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -38.75 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . . . -45.2 -48.73 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -30.49 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 1.0 110.333 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -73.01 -64.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.664 HD22 ' CE1' ' A' ' 13' ' ' HIS . 3.6 pp -48.52 -25.48 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 1.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 50' ' ' ARG . 8.3 tp -49.4 124.62 9.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.401 1.063 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 5.1 m -30.39 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 110.07 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 11.9 p -173.48 -58.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.82 92.65 0.11 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.113 . . . . 1.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -110.96 174.45 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.446 0.733 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.85 1.58 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.78 116.77 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 1.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 29' ' ' ILE . 85.6 p -144.82 141.82 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 1.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.787 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -119.58 171.41 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 1.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.04 -169.4 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 1.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -138.39 126.26 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 1.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.72 ' CD ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -124.46 170.71 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 1.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' CB ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -109.86 134.0 52.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 110.233 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -56.74 -175.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 1.0 110.011 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' N ' ' OG ' ' A' ' 38' ' ' SER . 37.0 mt-10 -81.8 -127.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 1.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m -69.26 81.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 1.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.645 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.38 151.97 78.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 1.0 109.986 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 3.48 5.61 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.589 1.836 . . . . 1.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' C ' ' OE1' ' A' ' 44' ' ' GLN . . . 144.28 57.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 1.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 2.6 mp0 -102.26 149.09 24.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 1.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -129.66 146.26 51.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.223 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -124.24 173.62 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 1.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.7 131.9 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.536 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -113.11 104.73 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD12 ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -100.33 137.4 38.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.546 1.154 . . . . 1.0 109.227 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.817 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -107.74 134.49 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 1.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.1 m-85 -113.24 -158.73 0.66 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.61 1.194 . . . . 1.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.53 50.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 103.21 37.44 3.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.38 143.03 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 1.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' NE2' ' A' ' 57' ' ' HIS . 8.3 p -118.67 123.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.838 ' HB2' HD12 ' A' ' 49' ' ' LEU . 70.4 m-85 -108.7 125.17 51.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.091 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' NE2' HG13 ' A' ' 55' ' ' VAL . 2.5 m-70 -113.01 104.39 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 1.0 109.61 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.47 114.94 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -76.23 141.59 41.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 1.0 110.245 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.59 HG23 HG22 ' A' ' 70' ' ' VAL . 3.0 mt -85.52 161.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.6 m-20 -95.11 167.22 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 66' ' ' GLY . 9.0 m -112.08 143.43 43.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 1.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . . . -68.29 -125.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 t -56.15 -70.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 1.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -160.97 56.01 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 1.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 62' ' ' THR . . . 164.88 -68.0 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 1.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 2.1 mttt -41.99 153.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 1.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 115.73 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 1.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 71' ' ' SER . 1.8 p90 -130.32 124.75 33.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 1.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.841 HG11 HD23 ' A' ' 93' ' ' LEU . 2.3 t -82.21 -37.61 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.616 ' O ' ' CE2' ' A' ' 69' ' ' TYR . 47.3 t -105.08 -104.48 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 1.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 88.6 p -144.77 -56.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 1.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 11.06 31.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.633 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 65.7 p -115.54 47.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.0 109.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' CB ' ' A' ' 69' ' ' TYR . 3.1 mtp180 -86.15 146.86 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.6 m-85 -142.99 133.46 24.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -82.92 -10.56 58.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -126.94 153.97 45.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.691 HD21 ' HG3' ' A' ' 45' ' ' ARG . 10.4 mp -62.8 -59.21 5.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' LEU . . . -44.47 -66.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.687 ' H ' HG22 ' A' ' 78' ' ' THR . 0.1 OUTLIER -38.92 -31.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 1.0 110.282 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -70.51 -68.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.936 HG13 HD11 ' A' ' 97' ' ' LEU . 1.2 t -56.45 -36.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.403 1.064 . . . . 1.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -47.91 -53.39 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 1.0 109.581 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 60.2 t60 -72.82 -40.98 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.66 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.7 m-70 -77.14 9.8 2.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.513 1.133 . . . . 1.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -90.51 -26.62 19.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -126.5 -40.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.6 1.188 . . . . 1.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.82 79.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.58 77.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.376 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 0.13 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -133.45 -62.29 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 1.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.841 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.89 139.69 56.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 1.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' H ' ' A' ' 95' ' ' THR . 3.5 tt -52.09 -84.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.744 ' H ' HG23 ' A' ' 94' ' ' ILE . 1.5 t -79.31 169.61 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 1.0 110.401 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.819 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 3.4 p -108.62 108.46 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.936 HD11 HG13 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -31.82 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.819 ' ND1' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER -127.25 -52.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.571 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 52.4 m-85 -117.27 113.73 38.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -75.03 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.548 1.815 . . . . 1.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 100' ' ' PRO . . . -38.06 98.37 0.16 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.523 ' HA ' ' HE2' ' A' ' 103' ' ' LYS . 18.1 Cg_endo -75.07 168.97 23.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.827 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 4.0 mmtt -80.7 85.59 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.37 138.13 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.236 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.28 -149.14 15.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 1.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.727 HG23 ' H ' ' A' ' 107' ' ' HIS . 3.2 tp -135.42 -66.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.727 ' H ' HG23 ' A' ' 106' ' ' ILE . 3.0 p80 161.49 -37.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.537 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.75 115.33 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.989 -1.482 . . . . 1.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p 63.29 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 1.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 39.16 -118.11 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 1.0 111.014 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 55.0 m-20 67.41 -68.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 0.737 . . . . 1.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 58.0 m -46.89 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 5' ' ' SER . 3.1 tp 87.73 111.53 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 1.0 109.24 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 103' ' ' LYS . 10.4 mt-10 -75.75 59.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 110.272 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.3 -118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.386 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.544 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 1.2 m-70 -67.94 177.53 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 1.0 109.665 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -76.07 1.35 15.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.839 ' O ' HG12 ' A' ' 35' ' ' VAL . 8.0 p-90 -118.63 -2.04 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.883 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -121.75 76.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.686 ' CD2' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -104.09 -50.81 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 1.0 109.586 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.41 -156.59 28.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.423 1.077 . . . . 1.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HB3' ' OE1' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.02 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 1.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 34' ' ' LEU . 10.2 p -125.33 135.13 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.631 1.207 . . . . 1.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -77.81 147.21 35.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 1.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' NE2' ' A' ' 57' ' ' HIS . 8.9 ptt85 -53.52 -41.18 66.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 1.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -59.35 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 1.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.83 -32.45 65.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 1.0 109.321 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -48.34 -70.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 1.0 109.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HA ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -58.79 -32.82 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 1.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 16.2 t80 -61.03 -70.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 16' ' ' VAL . 1.9 pp -48.26 -54.77 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -67.41 103.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -167.56 31.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 1.0 110.041 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -174.92 95.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 1.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' HH22 ' A' ' 50' ' ' ARG . . . -172.62 -126.38 0.89 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 1.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.608 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.1 mt -101.06 170.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 1.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 29' ' ' ILE . 24.3 p-10 -74.66 -2.59 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 1.0 109.327 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . -146.11 104.39 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 1.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 25' ' ' LEU . 87.1 p -146.82 138.42 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 1.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -122.43 163.75 19.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 1.0 111.069 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -153.18 138.57 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -99.11 143.24 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.921 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -130.56 -176.84 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 15' ' ' PRO . 5.2 pt-20 -127.88 126.76 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 1.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 159.97 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -131.73 93.75 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 8.1 p 165.71 -24.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 1.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -107.44 152.64 41.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 1.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.5 5.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 1.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.66 78.35 1.01 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 1.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -125.75 146.58 49.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 1.0 110.256 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 1.01 ' CD ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -130.58 142.18 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.409 1.068 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -111.74 167.27 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 110.017 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.71 ' HB ' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -126.66 131.71 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -111.6 128.7 56.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.954 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.24 133.18 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.339 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.757 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -108.92 121.65 45.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 1.0 110.303 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLY . 4.6 m-85 -111.0 -167.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.5 66.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 110.372 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 84.79 34.62 15.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 1.0 110.997 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -150.58 128.76 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 1.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 22' ' ' GLU . 20.0 t -112.86 122.93 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 14.0 m-85 -105.33 143.41 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 1.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.921 ' CD2' ' CZ ' ' A' ' 36' ' ' ARG . 21.0 m80 -118.09 109.27 16.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.601 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.41 112.9 14.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 0.1 OUTLIER -77.39 139.06 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.021 HG23 HG22 ' A' ' 70' ' ' VAL . 5.3 mp -78.46 -111.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 1.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.619 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER 154.31 149.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 1.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 18.7 m -111.58 141.04 45.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.678 ' HB2' ' CD2' ' A' ' 69' ' ' TYR . . . -75.67 168.03 20.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -18.12 3.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 1.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' CB ' ' CE ' ' A' ' 67' ' ' LYS . 29.7 m-20 -78.08 -52.72 8.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 136.53 -4.25 3.67 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.516 1.135 . . . . 1.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -80.26 167.55 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 1.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.765 HD13 HH12 ' A' ' 45' ' ' ARG . 1.3 mt -101.32 117.74 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.717 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -142.31 112.99 7.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 1.0 111.096 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG22 HG23 ' A' ' 60' ' ' ILE . 7.0 t -80.46 -25.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.5 137.61 48.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.5 p -56.1 -17.19 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -8.47 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 1.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.83 105.72 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 1.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 141.62 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 3.0 m-85 -138.79 146.87 41.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 1.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.7 -27.75 21.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 p -113.46 136.71 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.883 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.29 -46.28 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . . . -49.06 -61.34 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.222 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -32.81 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 1.1 tt -60.18 -45.3 93.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.057 ' CG1' HD13 ' A' ' 97' ' ' LEU . 4.7 t -69.92 -42.27 79.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 109.204 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -57.64 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 1.0 109.709 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.633 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.4 t60 -67.32 -48.56 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 1.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.832 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.7 m-70 -72.55 15.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 1.0 109.575 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 85' ' ' HIS . 3.8 p -88.72 -38.38 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.355 1.034 . . . . 1.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -123.22 -23.22 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 89' ' ' VAL . 24.4 t -134.39 82.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 1.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -78.81 75.98 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.43 21.3 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 1.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -148.85 -61.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.564 1.165 . . . . 1.0 111.052 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.832 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -66.49 152.55 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 1.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -44.01 -90.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 109.274 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.6 t -82.25 -147.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.511 ' N ' ' OG1' ' A' ' 95' ' ' THR . 2.4 p -129.76 122.53 29.02 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 1.0 110.455 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.057 HD13 ' CG1' ' A' ' 83' ' ' VAL . 1.6 mt -34.25 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.456 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 61.0 t60 -101.71 -83.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.5 p90 -135.23 101.36 11.23 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.684 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 47.87 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 1.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.65 ' O ' ' N ' ' A' ' 10' ' ' SER . . . -44.6 163.35 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.4 Cg_endo -74.98 150.56 38.45 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 1.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -73.11 134.48 44.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.01 -60.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.78 141.52 19.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.09 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.83 -65.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 1.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -147.1 -61.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 109.587 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.99 -56.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 1.0 110.232 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.334 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.097 -0.801 . . . . 1.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 53.22 78.45 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 1.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.89 -142.03 12.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.19 -55.88 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 0.724 . . . . 1.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -120.93 122.0 39.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 1.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD1' ' HA2' ' A' ' 14' ' ' GLY . 1.3 pp -89.46 43.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.4 69.72 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 1.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 2.9 tmtm? -56.71 -118.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 1.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 1.128 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.98 179.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 1.0 109.692 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -78.27 4.56 12.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 1.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 7.0 p-90 -126.35 7.02 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 1.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -106.79 129.51 54.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 1.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.592 ' HD2' ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.69 -2.8 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 109.585 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 6' ' ' LEU . . . 129.92 172.83 13.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.07 131.06 13.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 1.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.535 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.2 t -122.45 157.95 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 1.0 109.255 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' ND2' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -78.84 144.51 34.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 1.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -73.74 -27.2 61.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.65 1.219 . . . . 1.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.0 OUTLIER -64.05 -56.35 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -71.01 -15.3 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -58.78 -70.23 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB3' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -57.7 -38.31 74.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 25.0 t80 -69.69 -72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 1.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.3 tt -44.84 -30.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 ' HE ' ' A' ' 50' ' ' ARG . 9.0 tp -55.99 87.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.2 t -89.11 164.8 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.21 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 1.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.15 -123.36 4.57 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.472 1.108 . . . . 1.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -106.95 163.56 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.493 0.761 . . . . 1.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -80.57 43.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.766 ' O ' HD11 ' A' ' 29' ' ' ILE . . . 168.23 100.41 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.431 1.082 . . . . 1.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.707 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 28.2 p -152.02 134.27 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 1.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CD2' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER -139.63 151.28 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 1.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.908 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.78 169.18 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG21 HD12 ' A' ' 79' ' ' LEU . 2.3 t -96.89 138.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 1.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.908 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -125.11 148.7 48.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 1.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 15' ' ' PRO . 2.9 tt0 -97.71 137.19 36.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.575 1.172 . . . . 1.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 t -65.6 148.88 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 40' ' ' SER . 1.7 tm-20 -60.27 145.28 48.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 1.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 39' ' ' GLU . 85.4 p 16.56 81.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 1.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.505 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -130.81 153.89 81.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 1.0 109.98 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 19.27 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 1.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 118.21 61.21 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.562 1.164 . . . . 1.0 111.047 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 1.5 mm-40 -104.46 147.68 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 1.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.09 144.19 51.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 1.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ARG . 1.3 m -135.46 163.61 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 1.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.921 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -110.59 138.79 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 1.0 109.235 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.777 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.96 128.79 49.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -130.02 136.68 49.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.626 ' HE ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.28 137.79 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' N ' ' HD3' ' A' ' 50' ' ' ARG . 5.1 m-85 -108.65 -54.35 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 1.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -151.3 -72.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.74 23.58 6.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -144.11 147.09 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 0.749 . . . . 1.0 110.311 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -132.09 119.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 1.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB2' HD23 ' A' ' 49' ' ' LEU . 25.0 m-85 -90.34 134.83 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 21.4 m80 -111.85 108.28 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.82 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.51 146.8 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 3.7 mm -66.55 165.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 60' ' ' ILE . 28.5 t-20 -137.96 124.05 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 66' ' ' GLY . 48.2 m -116.63 140.18 49.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 1.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -76.58 159.68 30.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 1.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 p -54.65 -27.11 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 1.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -72.34 -54.15 10.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' THR . . . 153.72 -31.38 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -49.77 156.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 0.752 . . . . 1.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -104.57 105.24 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.1 p90 -125.56 134.18 52.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.158 ' CG2' HD21 ' A' ' 82' ' ' LEU . 23.6 t -90.63 -33.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 29.8 t -111.71 -87.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.52 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER 179.94 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 109.95 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -0.09 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 1.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.549 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.2 m -132.34 64.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' CZ ' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -88.16 146.23 25.51 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 74' ' ' SER . 39.7 m-85 -137.21 -177.7 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.724 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -108.02 -47.56 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.0 109.219 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -111.38 140.78 45.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.8 -45.77 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.128 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.55 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.95 -26.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 110.352 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.158 HD21 ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -68.49 -58.75 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 109.254 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -61.43 -38.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.23 -61.43 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.0 109.559 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 20.2 t60 -60.51 -37.33 80.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 1.0 109.531 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 1.015 ' CD2' HD21 ' A' ' 93' ' ' LEU . 69.3 m-70 -73.84 7.96 2.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 1.0 109.59 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 32.9 t -78.19 -36.93 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 1.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.4 t -117.11 -31.37 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 110.318 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 89' ' ' VAL . 3.5 t -131.07 84.53 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -68.97 65.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' VAL . 16.0 t70 -79.3 33.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.245 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -157.92 -76.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.415 1.072 . . . . 1.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -68.63 142.39 55.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 0.775 . . . . 1.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.56 -81.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.572 1.17 . . . . 1.0 109.376 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.655 HG23 ' HE2' ' A' ' 33' ' ' PHE . 2.9 t -77.43 -172.25 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 1.0 110.364 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.813 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 11.2 p -97.33 -127.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 1.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -165.52 127.19 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -145.9 58.76 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 1.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.755 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -151.97 43.68 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 1.0 111.014 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.755 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 1.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -79.89 115.17 52.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 1.0 109.223 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 92.12 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 1.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.81 175.84 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 1.0 109.327 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.607 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -118.24 -28.16 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.425 1.078 . . . . 1.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.607 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -18.18 104.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.976 HD13 ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -79.82 140.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.43 0.723 . . . . 1.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.976 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -83.74 79.31 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 1.0 109.586 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HB2' HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -141.7 -56.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.294 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 116.975 -1.488 . . . . 1.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.73 -59.05 0.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 0.757 . . . . 1.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' ASN . . . 71.94 -72.07 0.91 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.408 1.068 . . . . 1.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.6 p-10 -40.35 123.61 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 1.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 176.41 -67.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt 62.25 168.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 1.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 66.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 1.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HZ2' ' HB2' ' A' ' 80' ' ' ALA . 2.6 tttm -60.17 -116.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.23 -177.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 1.0 109.594 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' PRO . 67.7 m -81.44 8.38 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 1.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 4.0 p-90 -124.6 -1.73 7.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 1.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -119.05 92.4 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 1.0 111.009 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -114.76 25.64 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.554 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.86 -167.54 21.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 1.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.462 1.77 . . . . 1.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 3.2 p -127.85 120.07 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 1.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 p -49.98 133.11 22.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 mpp_? -52.07 -37.14 52.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -52.8 -50.56 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 1.0 109.262 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.06 -45.27 86.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -44.31 -42.38 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 1.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' CB ' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -67.97 -38.64 82.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 1.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' ALA . 16.0 t80 -74.87 -60.81 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 24' ' ' LEU . 3.4 tt -43.05 -42.62 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -52.27 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 45.7 t 59.66 145.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 1.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 25.7 t 35.45 80.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.501 ' HA3' ' CD ' ' A' ' 50' ' ' ARG . . . -83.7 131.43 10.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 124.561 1.163 . . . . 1.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.813 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -79.69 -172.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 1.0 109.18 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.57 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.5 m120 -77.95 29.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.378 1.048 . . . . 1.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . 170.84 96.74 0.1 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.641 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 7.7 p -151.47 129.28 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.428 0.723 . . . . 1.0 109.88 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 1.103 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -133.57 161.57 34.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 1.0 110.962 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 25' ' ' LEU . 1.8 mt -141.33 172.33 12.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.381 1.051 . . . . 1.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.746 HG22 ' CD1' ' A' ' 47' ' ' ILE . 45.0 t -133.42 147.25 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.87 160.85 30.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 34.4 tt0 -118.33 159.18 23.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB3' ' CB ' ' A' ' 44' ' ' GLN . 60.6 p -43.6 157.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -126.99 -35.11 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.92 14.75 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.79 137.22 26.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.634 1.209 . . . . 1.0 109.926 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 1.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.61 63.43 3.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 0.7 OUTLIER -128.56 147.37 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 1.0 110.25 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.2 156.63 45.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 110.375 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -135.77 163.69 29.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.0 110.068 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.65 145.28 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.234 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.757 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -129.42 139.67 51.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.84 150.38 52.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.661 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.99 132.35 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -112.76 -76.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.45 100.44 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.99 16.65 64.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.03 123.72 9.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 0.776 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' CB ' ' A' ' 22' ' ' GLU . 9.8 p -119.91 125.24 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 86.8 m-85 -94.56 148.2 22.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 1.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 18' ' ' ARG . 44.5 m-70 -122.52 109.46 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 1.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.02 103.92 8.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 1.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.82 153.94 12.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.604 1.19 . . . . 1.0 110.365 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.928 HG21 HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.64 139.14 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 1.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -100.98 138.42 38.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 1.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 67' ' ' LYS . 91.6 m -111.18 146.82 36.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 1.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.0 -62.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p 175.76 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 109.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -47.64 63.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 1.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.09 -23.7 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 62' ' ' THR . 4.8 mttt -55.71 152.54 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.928 HD23 HG21 ' A' ' 60' ' ' ILE . 2.3 mp -103.44 115.37 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.732 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.2 p90 -133.45 110.84 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 1.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.717 HG12 ' HA3' ' A' ' 92' ' ' GLY . 6.1 t -74.02 -15.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.558 ' CB ' ' CG ' ' A' ' 91' ' ' ASP . 17.6 t -150.63 134.42 16.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 1.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -10.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 1.0 109.943 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 71' ' ' SER . 2.1 mt-10 -90.85 -23.46 20.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 1.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 91' ' ' ASP . 1.4 m -137.83 121.07 16.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.65 143.61 50.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 1.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 68' ' ' LEU . 86.8 m-85 -138.12 174.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 1.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -119.94 -35.57 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 1.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.694 ' CG2' ' HB3' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -113.49 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 1.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -44.92 -34.33 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' CG2' ' A' ' 78' ' ' THR . . . -52.54 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.53 -33.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 110.254 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 70' ' ' VAL . 3.3 tt -62.98 -46.53 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG13 HD13 ' A' ' 97' ' ' LEU . 1.9 t -67.64 -44.86 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -55.97 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 1.0 109.674 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 53.3 t60 -68.89 -40.86 78.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 1.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.985 ' HB3' HD12 ' A' ' 93' ' ' LEU . 5.8 m-70 -76.86 17.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.569 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -102.23 -28.98 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 1.0 109.984 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' OG ' ' A' ' 87' ' ' SER . 40.2 p -125.53 -26.82 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 1.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.444 ' CG1' ' CE1' ' A' ' 85' ' ' HIS . 55.1 t -135.86 85.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 1.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.81 110.2 8.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.74 ' C ' ' OD1' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -79.24 -21.51 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 70' ' ' VAL . . . -147.59 -35.78 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.539 1.149 . . . . 1.0 110.972 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.985 HD12 ' HB3' ' A' ' 86' ' ' HIS . 34.8 mt -58.82 126.88 29.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 1.0 109.247 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -44.34 -87.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 1.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.103 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.58 -168.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.601 ' N ' ' OG1' ' A' ' 95' ' ' THR . 24.9 p -122.83 105.1 9.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.815 HD13 HG13 ' A' ' 83' ' ' VAL . 1.9 mp -24.25 130.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.445 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 75.8 t60 -109.68 -85.67 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 1.0 109.631 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.813 ' CE1' HD13 ' A' ' 29' ' ' ILE . 1.6 p90 -129.04 100.01 21.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.614 1.196 . . . . 1.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.99 89.52 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 1.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.43 135.01 9.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.01 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 1.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -69.1 174.53 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.418 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.48 85.37 5.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.63 73.43 0.3 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 1.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.0 mm -117.34 146.18 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.583 0.814 . . . . 1.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -169.48 143.03 2.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 1.0 109.668 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 -56.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 1.0 110.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.077 -1.439 . . . . 1.0 109.283 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -66.46 -58.26 5.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 0.723 . . . . 1.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.79 70.32 3.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 1.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.72 141.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 1.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -50.44 -60.7 2.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 1.0 109.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.09 103.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.48 67.68 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.944 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -58.1 -106.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.17 . . . . 1.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.642 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -85.7 -178.18 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.613 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 101' ' ' ALA . 31.3 m -82.82 32.01 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 109.97 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.66 ' NE1' HG11 ' A' ' 83' ' ' VAL . 2.5 p-90 -151.39 18.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -116.75 138.55 51.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 1.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.82 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.0 109.576 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.48 -167.04 35.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 1.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.24 12.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.779 . . . . 1.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 t -150.46 148.02 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 1.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -77.97 137.84 38.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -43.88 -34.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 1.0 110.338 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' TYR . 85.6 m-20 -41.44 -53.7 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.8 -41.49 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 1.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 18' ' ' ARG . . . -46.6 -64.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -60.0 -28.31 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 10.0 t80 -72.58 -69.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 1.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD21 HH21 ' A' ' 36' ' ' ARG . 3.3 pp -60.23 -15.78 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 ' NE ' ' A' ' 50' ' ' ARG . 3.9 tp -51.66 152.45 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 1.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' CB ' HG13 ' A' ' 29' ' ' ILE . 24.9 p -42.58 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.516 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 11.9 p 176.25 -54.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 1.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.84 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 1.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 26' ' ' SER . 3.6 mm -83.52 165.29 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.3 t-20 -76.64 1.43 16.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.273 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 98' ' ' HIS . . . 159.04 102.61 0.18 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.472 1.108 . . . . 1.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.623 ' OG ' ' CD1' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -140.87 130.53 24.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 0.727 . . . . 1.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -132.12 167.96 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 1.0 110.994 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -150.16 110.52 4.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.327 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.893 HG11 ' HG ' ' A' ' 79' ' ' LEU . 58.2 t -70.96 139.49 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 1.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.66 HH21 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -128.57 -178.89 4.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 1.0 110.248 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -126.7 141.29 51.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 110.211 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.25 124.65 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.37 48.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 1.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.8 t -172.84 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.981 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.23 100.76 45.54 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 1.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 45.92 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.426 1.75 . . . . 1.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.73 -39.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 1.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.3 151.61 22.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.407 0.71 . . . . 1.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 6.1 mpt_? -117.85 -173.9 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -133.01 166.25 22.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 1.0 110.009 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.684 HG13 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -136.49 121.68 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -118.5 129.69 55.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 110.082 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -135.31 159.35 41.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.725 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -139.36 145.11 38.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -120.28 -101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.42 1.075 . . . . 1.0 111.072 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mm-40 -69.55 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.17 40.2 2.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 1.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -148.88 147.15 28.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 1.0 110.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -106.54 136.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.112 . . . . 1.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -106.86 136.36 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.653 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 53.3 m-70 -118.98 105.16 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 109.562 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 90.08 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 1.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -57.49 161.02 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 1.0 110.334 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 47' ' ' ILE . 9.2 mm -74.51 158.73 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -138.63 150.18 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -111.56 146.24 37.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.2 -62.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.5 p 179.25 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 1.0 110.026 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -52.13 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.42 -33.15 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.602 1.188 . . . . 1.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.39 139.04 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.815 . . . . 1.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 3.4 mp -108.91 114.23 27.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.5 p90 -113.16 150.74 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.852 HG11 HD23 ' A' ' 93' ' ' LEU . 63.7 t -94.77 -34.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 72' ' ' SER . 13.6 t -102.13 -65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 3.0 p 162.54 -45.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 1.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.36 -3.72 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.11 82.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -93.81 146.1 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.359 1.037 . . . . 1.0 110.269 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 81.1 m-85 -140.35 135.6 32.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.372 1.045 . . . . 1.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -78.64 -40.8 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.6 p -112.89 143.79 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 1.0 110.431 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.893 ' HG ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -50.22 -46.36 54.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.944 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -47.57 -66.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -42.21 -36.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.318 1.012 . . . . 1.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.693 HD11 ' CG2' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -70.79 -44.54 66.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 1.174 . . . . 1.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.094 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.1 t -66.77 -41.84 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.0 109.211 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -52.93 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.539 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.2 t60 -73.72 -41.89 61.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 1.084 ' CD2' HD21 ' A' ' 93' ' ' LEU . 4.2 m-70 -76.96 10.33 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 1.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' VAL . 14.8 t -101.12 -22.12 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 1.0 110.004 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -128.37 -37.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 1.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' HIS . 45.0 t -128.49 85.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.576 1.172 . . . . 1.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -77.51 79.46 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.6 -6.24 45.37 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.44 1.087 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.64 -70.63 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.084 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -67.9 140.79 56.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 1.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' H ' ' A' ' 95' ' ' THR . 0.8 OUTLIER -44.75 -83.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.665 ' H ' HG23 ' A' ' 94' ' ' ILE . 14.9 t -76.21 -161.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LEU . 8.6 p -127.13 125.04 40.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 1.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.094 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -38.37 129.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.0 109.212 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 28.1 t60 -141.0 44.68 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 1.0 109.524 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.623 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -152.17 60.85 3.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.487 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.91 51.66 2.81 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.541 1.811 . . . . 1.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.629 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -70.89 114.48 27.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 1.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.67 42.63 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 1.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.611 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -99.23 151.58 20.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 119.44 19.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 1.0 110.373 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.02 -160.44 35.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.812 HG23 ' HG2' ' A' ' 108' ' ' ARG . 13.8 tt -109.95 42.4 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 2.2 p-80 37.14 66.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 1.0 109.682 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 106' ' ' ILE . 2.8 mmt180 -113.98 107.55 15.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 110.304 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.943 -1.504 . . . . 1.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' CZ ' ' A' ' 108' ' ' ARG . 6.0 m -118.99 -61.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.763 . . . . 1.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.63 149.36 7.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 62.87 116.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 0.823 . . . . 1.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.64 -73.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER 70.95 135.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 1.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -75.37 66.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.315 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.717 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -49.63 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 1.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.8 m-70 -99.78 -173.38 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 1.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 100' ' ' PRO . 8.6 t -82.61 16.31 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 1.0 109.957 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 8.8 p-90 -131.52 9.22 4.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.942 -1.133 . . . . 1.0 107.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 79' ' ' LEU . 1.5 t80 -110.93 107.64 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 1.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -111.1 -45.94 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.56 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 -176.43 44.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.628 1.205 . . . . 1.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 122.27 7.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 76.1 t -124.04 109.82 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.085 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.87 139.12 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.79 -33.18 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 1.0 110.308 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 26.1 t-20 -48.9 -56.5 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.305 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.16 -41.88 97.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -46.98 -62.2 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 1.0 109.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -63.76 -30.6 71.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 1.0 110.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 18.0 t80 -68.08 -67.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 1.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 tp -63.43 -9.84 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -50.65 -28.37 8.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 1.0 109.292 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 t -84.73 50.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t 167.21 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 1.0 110.073 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA3' ' NE ' ' A' ' 50' ' ' ARG . . . -111.71 -168.49 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.415 1.072 . . . . 1.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 31' ' ' GLY . 14.9 pt -97.52 -166.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 1.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.8 31.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 98' ' ' HIS . . . 128.48 118.1 2.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.426 1.078 . . . . 1.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 99' ' ' TYR . 29.7 p -156.16 145.04 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.999 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.42 126.89 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 1.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.2 pt? -121.28 117.52 27.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 79' ' ' LEU . 95.6 t -70.12 144.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -119.63 -177.98 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 1.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.5 132.56 46.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 1.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' SER . 43.4 m -64.41 179.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 1.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' O ' ' C ' ' A' ' 40' ' ' SER . 16.9 mt-10 -44.36 92.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 39' ' ' GLU . 83.9 p 21.63 67.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 1.0 110.049 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 13.2 p -127.8 107.73 20.42 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 1.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.33 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.465 1.771 . . . . 1.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.72 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.93 126.39 52.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -126.9 165.46 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -115.89 172.88 6.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 1.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -135.56 131.85 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.28 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.9 p -131.53 122.19 25.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.434 1.084 . . . . 1.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -105.98 154.0 21.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.327 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 25' ' ' LEU . 7.6 ttm-85 -117.97 133.02 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 -154.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.59 74.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 1.0 110.365 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.94 26.55 68.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -134.94 146.08 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 1.0 110.399 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' HB ' HD21 ' A' ' 25' ' ' LEU . 7.6 p -135.46 148.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.2 m-85 -136.05 129.36 31.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m-70 -110.65 109.18 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 1.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.28 105.29 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 1.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -60.52 139.27 57.83 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.565 1.166 . . . . 1.0 110.226 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.471 HD11 HD12 ' A' ' 47' ' ' ILE . 41.6 mt -69.41 140.76 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.15 145.24 29.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -111.17 133.63 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.406 1.066 . . . . 1.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 170.08 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 p -61.12 -28.98 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.93 -55.78 7.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.83 -18.15 0.85 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 1.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.8 154.97 24.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 1.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.67 109.46 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.2 p90 -120.13 148.24 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 1.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.746 HG23 HD11 ' A' ' 82' ' ' LEU . 84.7 t -98.62 -35.86 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 1.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 72' ' ' SER . 5.0 t -101.62 -66.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.396 1.06 . . . . 1.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.3 OUTLIER 166.47 -61.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 1.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -1.85 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 1.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.26 66.99 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 1.0 109.924 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 146.79 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 1.0 110.29 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 88.8 m-85 -137.38 153.51 50.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 1.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -90.99 -36.74 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -118.13 132.76 56.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 1.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.938 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -44.79 -43.02 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -43.56 -64.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 109.195 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -53.17 -31.07 40.83 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 1.0 110.258 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -64.7 -43.97 91.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 1.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 97' ' ' LEU . 53.4 t -75.92 -42.79 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -52.91 11.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.53 1.144 . . . . 1.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 59.3 t60 -70.92 -40.76 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 1.0 109.51 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.943 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.3 m-70 -76.14 7.71 3.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.583 1.177 . . . . 1.0 109.541 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t -91.26 -29.42 17.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -121.36 -30.23 4.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.058 . . . . 1.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.25 85.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -74.94 69.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 1.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.07 -7.07 38.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.5 -58.59 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.943 HD12 ' HB3' ' A' ' 86' ' ' HIS . 14.7 mt -68.89 140.14 55.15 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.737 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.058 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -55.05 -74.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 1.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.058 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -80.09 -162.34 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 1.0 110.466 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.675 ' N ' ' OG1' ' A' ' 95' ' ' THR . 8.1 p -124.37 116.31 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.575 1.172 . . . . 1.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.845 ' HA ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -48.37 119.35 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.268 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 32.3 p-80 -143.45 69.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 1.0 109.659 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 1.001 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -159.04 52.16 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 55.37 3.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 1.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' SER . . . -76.38 114.7 40.64 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 1.0 109.375 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 144.49 30.61 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.455 1.766 . . . . 1.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' CE ' ' HB3' ' A' ' 13' ' ' HIS . 1.8 mmtt -66.7 148.31 52.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 1.0 109.216 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.23 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 1.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.78 82.37 0.26 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 1.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.503 HD13 ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -109.81 123.8 65.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.481 0.754 . . . . 1.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CD2' HD13 ' A' ' 106' ' ' ILE . 1.1 p-80 -37.66 124.7 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 1.0 109.668 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.493 ' CZ ' ' OG ' ' A' ' 2' ' ' SER . 1.7 mmm180 -148.54 164.78 33.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.95 -1.5 . . . . 1.0 109.392 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.17 78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.409 0.711 . . . . 1.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.57 164.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.92 172.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 1.0 109.267 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.597 ' OG ' ' CE1' ' A' ' 12' ' ' TYR . 41.8 t -71.63 -58.35 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 68.35 161.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.373 1.045 . . . . 1.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.71 63.8 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' ND1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.97 -114.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.672 1.232 . . . . 1.0 109.306 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.524 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.22 176.75 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.58 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 2.89 14.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 12' ' ' TYR . 10.3 p-90 -123.0 -6.2 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.781 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 1.1 t80 -113.86 101.75 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.631 1.207 . . . . 1.0 111.032 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.583 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -116.7 -64.77 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.653 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.0 10.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 18.1 Cg_endo -75.03 124.36 8.55 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.586 1.835 . . . . 1.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.828 HG13 ' HG2' ' A' ' 36' ' ' ARG . 5.8 p -143.22 137.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.083 . . . . 1.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 144.48 41.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 1.0 109.936 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 1.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.55 -42.61 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 1.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -74.97 -27.01 60.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . . . -57.7 -59.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 1.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.98 -46.15 75.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 110.239 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.54 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD11 HH11 ' A' ' 104' ' ' ARG . 2.5 tt -54.28 -18.94 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 1.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 50' ' ' ARG . 8.4 tp -49.39 -40.09 34.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 27' ' ' SER . 54.0 p 37.7 -127.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.0 110.016 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' SER . 71.5 m -32.87 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 1.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' ' CZ ' ' A' ' 50' ' ' ARG . . . -111.27 96.47 0.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.099 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.724 HD12 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -86.78 -171.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 1.0 109.264 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.6 p-10 -72.45 -1.55 16.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 98' ' ' HIS . . . 146.02 150.24 5.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 1.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.526 ' OG ' ' CZ ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -153.5 121.03 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 0.805 . . . . 1.0 109.981 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.77 ' HE2' HG21 ' A' ' 83' ' ' VAL . 1.7 p90 -104.26 142.55 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -153.42 126.83 8.62 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 1.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.35 139.99 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.828 ' HG2' HG13 ' A' ' 16' ' ' VAL . 5.7 mtt85 -128.95 123.31 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 1.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -102.31 149.18 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -76.23 -151.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 1.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -83.12 -80.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 1.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -156.2 79.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 1.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -128.8 161.13 59.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 1.0 110.012 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.393 1.733 . . . . 1.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.63 75.12 1.09 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -134.13 96.0 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 1.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' NE ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.34 156.69 44.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 1.0 110.219 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -139.08 161.9 36.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.668 ' CG2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -135.93 121.17 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.3 p -110.52 102.97 11.53 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.112 . . . . 1.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -109.3 126.36 53.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 1.0 109.251 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tmt_? -87.13 152.98 21.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -144.94 -150.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.2 79.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 50' ' ' ARG . . . 60.22 43.77 98.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 1.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.42 147.33 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 1.0 110.252 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -120.14 116.4 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.074 . . . . 1.0 109.223 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 94' ' ' ILE . 19.4 m-85 -98.34 120.75 39.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 1.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 17.1 m80 -111.96 107.13 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.41 100.35 8.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.105 . . . . 1.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.49 100.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.669 HG22 ' H ' ' A' ' 61' ' ' ASN . 1.5 mt -70.05 -153.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.669 ' H ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.25 168.18 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 1.0 109.23 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 67' ' ' LYS . 54.3 m -108.07 157.07 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -65.05 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 1.0 109.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.1 p 179.36 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -27.54 65.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.05 -14.07 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 1.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' O ' HG23 ' A' ' 62' ' ' THR . 2.3 mtmt -55.55 135.87 50.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 1.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD21 ' NE ' ' A' ' 45' ' ' ARG . 1.6 mp -103.62 119.19 38.4 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.475 1.11 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.605 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -131.08 127.62 38.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.782 HG11 HD23 ' A' ' 93' ' ' LEU . 11.1 t -86.17 -29.24 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.628 1.205 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' CE1' ' A' ' 69' ' ' TYR . 29.4 t -114.51 -83.06 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 1.0 109.945 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 p 173.18 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 1.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.13 -4.77 58.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 1.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.631 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -126.46 56.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 110.066 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.89 152.44 31.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 1.0 110.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CE2' ' O ' ' A' ' 74' ' ' SER . 59.7 m-85 -137.04 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -116.3 -30.22 5.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 1.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -120.0 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.443 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.781 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 6.8 mp -43.69 -34.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' HG22 ' A' ' 78' ' ' THR . . . -62.76 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -43.87 -25.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.254 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.605 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 6.6 tt -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 1.0 109.249 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.792 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -59.3 -37.27 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 1.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -49.79 -64.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.585 1.178 . . . . 1.0 109.604 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 44.1 t60 -57.1 -43.6 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.57 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 1.014 ' CD2' HD21 ' A' ' 93' ' ' LEU . 10.5 m-70 -69.95 -0.22 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 1.0 109.673 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 84' ' ' HIS . 3.3 t -81.69 -34.9 30.39 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 1.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.507 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -115.61 -31.42 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 1.0 110.479 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.507 HG23 HG23 ' A' ' 88' ' ' THR . 64.1 t -131.43 85.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -70.4 66.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' NE2' ' A' ' 85' ' ' HIS . 7.2 m-20 -79.31 37.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 1.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.16 -63.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 1.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.014 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -72.48 144.06 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 1.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.709 HG23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.38 -77.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.946 HG22 HD13 ' A' ' 49' ' ' LEU . 1.3 t -79.2 -154.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.818 ' N ' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -131.5 169.26 16.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 1.0 110.404 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.76 153.48 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HD2' ' C ' ' A' ' 31' ' ' GLY . 4.0 m-70 -137.48 -73.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 1.0 109.641 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.734 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 2.4 p90 -131.29 108.99 14.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.01 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.455 1.766 . . . . 1.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . . . -42.03 132.27 2.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' ALA . 17.9 Cg_endo -75.02 -178.35 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 1.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -79.17 -179.52 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.694 HH11 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -69.71 -56.56 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 1.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.7 58.78 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.9 mt -88.97 105.58 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 1.0 109.226 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 107' ' ' HIS . 4.9 p80 -106.8 68.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.08 167.95 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 1.0 110.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.012 -1.47 . . . . 1.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 162.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 1.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . 164.83 73.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.469 1.106 . . . . 1.0 111.018 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 5' ' ' SER . 8.6 p30 43.65 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 1.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 4' ' ' ASN . 42.6 m 68.41 -58.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 1.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 4' ' ' ASN . 3.3 mm? -70.1 58.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -77.5 67.53 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 110.304 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.528 ' CB ' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -63.76 -130.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 2.0 m-70 -67.92 -177.85 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.562 1.164 . . . . 1.0 109.608 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 101' ' ' ALA . 24.3 m -72.75 -12.9 61.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 1.0 110.05 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.847 ' CZ3' HD23 ' A' ' 79' ' ' LEU . 5.6 p-90 -100.13 -1.95 35.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' O ' ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -116.34 80.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 1.0 110.997 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 18.2 m170 -102.66 -64.62 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.581 1.175 . . . . 1.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.6 -159.42 32.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 1.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 108.1 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 1.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.759 HG11 HD12 ' A' ' 34' ' ' LEU . 5.3 p -111.33 139.62 34.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 1.0 109.402 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -71.32 106.15 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 110.056 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -47.77 -43.25 27.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 1.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -52.58 -51.39 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.067 . . . . 1.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -65.95 -44.43 85.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 25' ' ' LEU . . . -43.36 -46.4 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -68.94 -35.03 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ALA . 76.7 t80 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.95 -11.29 7.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 1.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.03 -152.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.3 m 91.2 175.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 110.115 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.5 m 65.94 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 1.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . . . 70.85 141.95 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 1.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -110.24 -160.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -78.24 -2.41 37.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.628 1.205 . . . . 1.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.8 106.17 0.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.578 1.174 . . . . 1.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -141.96 144.8 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 0.795 . . . . 1.0 109.977 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 1.009 ' CE2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -146.67 177.22 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 1.0 111.0 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -158.53 129.36 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.042 . . . . 1.0 109.231 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.049 HG21 HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.49 143.1 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.611 ' CG ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -127.82 172.87 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 1.0 110.303 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 6.9 mt-10 -107.43 132.53 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 1.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.41 49.62 0.73 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 1.0 109.949 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.1 tt0 57.13 161.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.192 . . . . 1.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 84.6 p -34.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 1.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -128.95 164.72 36.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 1.0 110.057 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.02 14.79 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 1.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.34 43.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.567 1.167 . . . . 1.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -110.7 132.91 53.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 1.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.853 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -132.22 164.41 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.264 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.52 175.2 6.6 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.609 HD12 HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -135.49 123.06 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -116.77 87.79 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 1.0 109.939 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -74.88 169.02 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -143.22 114.35 7.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 1.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -103.1 -155.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 1.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 59.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 94.09 21.58 27.42 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.468 1.105 . . . . 1.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 1.4 ttm180 -128.68 161.84 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.465 0.744 . . . . 1.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.3 p -136.44 138.1 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 94' ' ' ILE . 11.1 m-85 -114.26 118.42 33.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.604 ' CE1' ' HG2' ' A' ' 18' ' ' ARG . 33.8 m80 -108.24 106.73 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.606 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.61 123.59 33.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -72.73 130.07 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 1.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 45' ' ' ARG . 86.4 mt -69.63 128.79 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 1.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.6 t30 -87.16 140.11 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' LYS . 99.7 m -112.04 157.39 20.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 1.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . . . -68.37 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.9 t -164.71 29.51 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 1.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -151.57 -48.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 1.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.65 -37.54 0.15 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.46 1.1 . . . . 1.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -43.45 141.3 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 1.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 76' ' ' PHE . 11.4 mt -103.06 112.38 25.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 1.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.837 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.4 p90 -135.72 98.45 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 1.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.516 ' HB ' ' HA3' ' A' ' 92' ' ' GLY . 5.9 t -69.2 -15.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 1.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.13 137.47 27.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -19.45 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 110.045 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -8.23 30.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 101.35 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 1.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.25 140.32 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 1.5 m-85 -139.75 166.2 25.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 1.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -113.38 -14.25 12.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 1.0 109.21 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -128.63 153.4 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.416 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.049 HD21 HG21 ' A' ' 35' ' ' VAL . 8.7 tp -57.31 -32.13 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 1.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.857 ' H ' HG23 ' A' ' 78' ' ' THR . . . -59.0 -71.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.694 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -43.51 -24.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 1.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.636 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -74.93 -48.08 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 1.0 109.243 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.059 HG13 HD13 ' A' ' 97' ' ' LEU . 2.1 t -77.63 -45.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.465 1.103 . . . . 1.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.694 ' ND1' ' HA ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -45.67 -55.25 6.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 109.634 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 55.3 t60 -62.07 -50.44 71.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 16.4 m-70 -70.84 6.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.0 109.545 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 1.8 p -81.75 -32.64 31.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.1 p -122.06 -26.89 4.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.4 t -136.09 84.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 109.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -72.65 66.01 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.69 14.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 1.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.516 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -135.62 -68.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.133 . . . . 1.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -62.17 153.9 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 0.738 . . . . 1.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.774 HG23 ' H ' ' A' ' 95' ' ' THR . 2.5 tt -44.86 -86.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 1.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.774 ' H ' HG23 ' A' ' 94' ' ' ILE . 12.6 t -82.43 -153.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.557 ' N ' HG23 ' A' ' 95' ' ' THR . 9.5 p -120.37 135.28 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 1.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.059 HD13 HG13 ' A' ' 83' ' ' VAL . 5.2 mt -49.37 177.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 1.0 109.201 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CD2' ' CZ ' ' A' ' 99' ' ' TYR . 2.1 t60 -141.54 -73.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.647 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CZ ' ' CD2' ' A' ' 98' ' ' HIS . 10.8 m-85 -113.82 69.27 1.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 1.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HD3' ' C ' ' A' ' 98' ' ' HIS . 18.3 Cg_endo -74.97 12.72 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 1.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.591 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . -65.83 164.13 30.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.2 Cg_endo -74.98 141.47 26.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 1.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE2' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -72.08 172.06 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -74.42 104.15 5.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 110.285 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -47.82 -98.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.437 1.086 . . . . 1.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.686 ' C ' HD13 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -129.08 110.25 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.621 ' N ' HD13 ' A' ' 106' ' ' ILE . 9.7 p80 -69.23 82.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.553 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -56.73 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.997 -1.477 . . . . 1.0 109.353 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 -60.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 1.0 110.074 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.29 99.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 175.87 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 1.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -54.5 -55.23 31.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 1.0 110.01 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -81.19 53.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.53 61.62 1.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 1.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -59.31 -113.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CB ' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -75.94 -177.4 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 1.0 109.598 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 102' ' ' PRO . 70.1 m -82.9 26.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.869 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 3.0 p-90 -144.94 12.46 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.97 -1.122 . . . . 1.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.9 t80 -121.18 101.32 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.58 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 2.2 p80 -117.46 11.46 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 1.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.45 -179.56 16.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 1.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' GLU . 18.6 Cg_endo -75.03 128.01 11.12 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 1.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 35' ' ' VAL . 3.9 p -121.23 117.45 52.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' ALA . 74.7 m -58.13 136.95 57.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 1.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.6 ptt180 -49.09 -32.88 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 4.5 m120 -66.3 -59.4 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 1.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' TYR . . . -64.98 -22.35 66.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 34' ' ' LEU . . . -60.37 -70.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -55.61 -26.79 45.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 80.1 t80 -76.02 -70.47 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.4 tt -53.29 -20.23 4.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.77 HD21 ' NE ' ' A' ' 50' ' ' ARG . 27.9 tp -51.13 143.69 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 1.0 109.347 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.558 ' H ' HD12 ' A' ' 25' ' ' LEU . 43.2 m -48.51 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 11.1 p -174.3 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 1.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.06 96.32 0.22 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 1.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -118.25 -170.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 1.0 109.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -73.69 -3.42 28.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.547 1.154 . . . . 1.0 109.396 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.22 121.85 2.21 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.759 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 54.9 p -135.74 139.99 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 0.737 . . . . 1.0 110.005 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.782 ' CD1' ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -118.68 166.51 12.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 1.0 110.958 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.733 HD13 ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -148.6 115.59 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.251 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -64.23 141.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 1.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' NE ' ' H ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -119.43 -178.35 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 1.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 2.7 mt-10 -129.13 -167.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 1.0 110.23 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -40.21 121.91 1.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 1.0 110.044 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.686 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.5 tp10 -116.36 79.75 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.686 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 6.5 t 102.82 -25.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -128.35 125.42 23.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 1.0 110.027 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 113.22 3.74 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.459 1.768 . . . . 1.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.56 -1.46 9.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -105.97 162.42 13.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 1.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.627 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -129.39 153.15 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 1.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -131.85 170.59 14.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 1.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.473 HD12 ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -136.01 152.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB3' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.96 134.65 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -125.31 141.02 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.77 ' NE ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -113.2 135.21 54.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' CD2' ' A' ' 56' ' ' TYR . 2.1 m-85 -112.77 -159.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.27 49.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 1.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.53 1.38 32.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 1.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.1 138.52 47.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 0.788 . . . . 1.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.627 HG23 ' NH1' ' A' ' 50' ' ' ARG . 1.6 t -112.63 126.96 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 1.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.488 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 20.6 m-85 -117.4 148.42 41.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 1.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 55' ' ' VAL . 9.5 m-70 -128.53 112.67 14.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.396 1.06 . . . . 1.0 109.669 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -110.45 118.9 37.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 1.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 144.16 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 5.9 mm -69.73 147.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.171 . . . . 1.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -112.75 125.82 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 1.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 m -110.87 150.42 29.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 1.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -83.53 14.64 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.9 OUTLIER 85.62 -38.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 1.0 110.05 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -67.71 -56.5 9.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 1.0 109.331 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 168.13 -35.83 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -53.98 144.34 19.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 1.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' PHE . 9.1 mt -102.89 112.49 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 1.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.755 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 4.3 p90 -132.64 103.94 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 1.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 HD23 ' A' ' 93' ' ' LEU . 15.9 t -69.4 -14.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 1.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.536 ' CB ' ' OD1' ' A' ' 91' ' ' ASP . 1.8 t -146.66 134.56 21.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -11.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 110.066 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -96.76 -16.51 20.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.355 1.034 . . . . 1.0 110.305 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.554 ' CB ' ' OD2' ' A' ' 91' ' ' ASP . 14.1 m -136.52 115.77 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.045 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -126.02 144.55 50.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 110.259 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 65.9 m-85 -137.45 172.35 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -118.48 -28.62 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -111.55 137.37 49.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.122 . . . . 1.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CB ' ' NH1' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -50.37 -55.32 16.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 1.0 109.221 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.811 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . . . -48.32 -56.51 7.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 1.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -44.5 -47.04 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 70' ' ' VAL . 2.4 tt -58.15 -55.36 35.99 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.528 1.143 . . . . 1.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.869 HG11 ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -59.2 -39.82 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.55 -51.92 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.656 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.606 ' CD2' ' OD2' ' A' ' 91' ' ' ASP . 55.8 t60 -71.91 -40.62 68.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.838 ' CD2' HD21 ' A' ' 93' ' ' LEU . 7.2 m-70 -77.05 6.93 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 1.0 109.577 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 83' ' ' VAL . 35.5 t -92.98 -24.75 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 1.0 110.052 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.6 p -122.12 -36.67 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 1.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' ASP . 51.3 t -132.13 84.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 1.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -67.94 71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.606 ' OD2' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -68.74 -11.04 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.57 -68.71 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 1.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.934 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -69.24 139.89 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 0.822 . . . . 1.0 109.437 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' H ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -51.72 -82.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.376 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 49' ' ' LEU . 5.8 t -76.31 164.09 26.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 1.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.541 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -109.46 120.71 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 110.386 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.782 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -32.8 133.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 1.0 109.371 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -139.71 40.77 2.01 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.367 1.042 . . . . 1.0 109.673 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.674 ' N ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -146.54 48.68 0.74 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 1.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.95 39.42 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.513 1.796 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -78.4 113.79 37.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 1.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.48 ' N ' ' HB3' ' A' ' 10' ' ' SER . 18.0 Cg_endo -75.08 109.28 2.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HD3' ' CB ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -97.36 158.85 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.18 -57.86 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 1.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.9 -141.07 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 1.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ILE . 7.5 tp -115.44 111.97 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 1.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.466 ' H ' ' CD2' ' A' ' 107' ' ' HIS . 7.2 p80 -64.5 -62.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 1.0 109.548 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 -57.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 1.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.042 -1.456 . . . . 1.0 109.33 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 40.7 83.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 0.796 . . . . 1.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.69 138.66 46.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' C ' HD23 ' A' ' 6' ' ' LEU . 18.7 m120 -150.42 -55.12 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 1.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 t -97.16 86.22 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.96 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.5 46.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 1.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.2 mt-10 -75.54 63.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 1.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -43.32 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.37 1.044 . . . . 1.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.75 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.4 m-70 -101.24 -179.01 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.525 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.521 ' O ' ' O ' ' A' ' 101' ' ' ALA . 9.8 m -82.24 34.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 1.0 109.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.75 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 3.9 p-90 -150.63 8.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 3.7 t80 -110.74 114.7 28.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.337 1.023 . . . . 1.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.623 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -123.82 19.8 9.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.539 1.149 . . . . 1.0 109.621 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.77 -175.12 15.83 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 1.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 HD12 ' A' ' 34' ' ' LEU . 70.7 t -96.4 133.8 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 12.3 m -75.41 127.37 32.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 1.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' CG ' ' CZ ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -66.99 -58.2 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -46.17 -55.29 7.28 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' SER . . . -64.13 -44.85 90.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 1.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -43.82 -52.65 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 1.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 1.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.4 t80 -76.06 -67.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.7 pp -47.33 -37.14 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 1.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.903 HD11 ' CD ' ' A' ' 50' ' ' ARG . 1.7 tp -69.34 59.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' LEU . 91.9 p -89.26 -54.95 3.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' GLY . 40.3 t -107.0 -62.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 1.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' SER . . . 36.17 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 1.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -100.31 179.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 1.0 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -77.07 3.43 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 1.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.724 ' O ' ' CE1' ' A' ' 98' ' ' HIS . . . 176.55 127.87 1.08 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.496 1.123 . . . . 1.0 111.06 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HA ' ' ND1' ' A' ' 98' ' ' HIS . 65.4 p -156.3 127.74 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 1.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.931 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -113.98 116.77 29.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 1.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.0 110.57 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 1.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.841 HG23 HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.22 153.58 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -127.67 -173.2 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 3.4 mt-10 -149.65 134.37 17.71 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.473 1.108 . . . . 1.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.85 130.31 40.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 1.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.94 39.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 p 174.1 40.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 1.0 110.056 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.4 p -122.33 173.93 3.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -74.95 1.44 7.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.23 47.6 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 1.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.554 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -122.09 154.15 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.708 ' HG2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.07 -176.96 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -133.14 160.05 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 1.0 110.041 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.841 HG13 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -128.65 129.0 68.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 109.304 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -122.35 104.26 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.862 HD12 HG22 ' A' ' 95' ' ' THR . 1.6 pt? -124.83 130.76 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.903 ' CD ' HD11 ' A' ' 25' ' ' LEU . 2.9 ttt180 -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 1.0 110.199 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 4.5 t80 -136.83 -124.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 1.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 8.4 pt-20 -64.6 98.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 52' ' ' GLU . . . 30.58 47.91 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 1.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' NH1' ' OH ' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -149.25 171.69 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.512 ' CG2' HD22 ' A' ' 25' ' ' LEU . 2.9 p -135.88 146.0 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' HG21 ' A' ' 94' ' ' ILE . 34.5 m-85 -122.06 128.23 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.477 ' ND1' ' HD3' ' A' ' 18' ' ' ARG . 89.5 m-70 -111.38 106.7 15.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 1.0 109.642 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CE2' ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -120.5 107.47 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 111.038 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 144.21 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.744 ' CG2' HD23 ' A' ' 68' ' ' LEU . 13.9 mm -78.27 101.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.12 149.57 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.7 m -111.76 155.75 23.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.893 ' HB3' ' HG2' ' A' ' 67' ' ' LYS . . . -86.56 46.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 1.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 m 35.44 34.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 1.0 110.044 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' ALA . 20.7 m-20 -149.21 -52.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.636 ' O ' HD12 ' A' ' 68' ' ' LEU . . . 175.51 -52.28 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.533 1.146 . . . . 1.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.893 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.82 143.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.776 . . . . 1.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mp -111.43 104.96 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.639 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -116.52 157.03 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.814 HG11 HD13 ' A' ' 93' ' ' LEU . 47.9 t -109.17 -33.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 72' ' ' SER . 18.6 t -120.65 -1.73 10.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 1.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.6 p 92.88 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.52 -0.59 18.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 1.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 16.5 p -132.93 74.2 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 1.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 140.51 29.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 110.232 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 28.5 m-85 -139.28 149.5 44.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 1.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.08 -23.59 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.8 p -126.7 137.07 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -44.45 -52.34 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 1.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . -45.67 -63.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.49 -26.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.54 -60.3 2.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 1.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -61.12 -41.52 89.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 1.0 109.249 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -45.49 -61.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 109.607 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 18.9 t60 -59.88 -43.76 94.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.578 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.736 ' CD2' HD21 ' A' ' 93' ' ' LEU . 71.5 m-70 -70.63 0.14 7.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.654 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 97' ' ' LEU . 6.9 t -73.85 -38.8 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 89' ' ' VAL . 1.2 m -116.47 -24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 1.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 89' ' ' VAL . 28.4 t -135.09 82.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 1.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -67.08 63.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -77.26 43.79 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.0 109.213 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -166.2 -77.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 1.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.814 HD13 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.87 163.62 27.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 1.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.773 HG23 ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.42 -67.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 1.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.83 155.34 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.437 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 1.057 HG22 ' HB2' ' A' ' 90' ' ' ALA . 27.9 p -104.68 84.23 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.877 ' HG ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER 51.02 176.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 1.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.933 ' CE1' ' CG ' ' A' ' 99' ' ' TYR . 3.8 t-80 -138.73 -84.27 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.933 ' CG ' ' CE1' ' A' ' 98' ' ' HIS . 5.8 m-30 -114.37 89.82 18.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 1.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.0 Cg_endo -75.12 12.89 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 1.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -77.26 148.37 77.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 1.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HB2' HG21 ' A' ' 106' ' ' ILE . 18.5 Cg_endo -74.98 154.48 42.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HD3' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -69.73 -175.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.334 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -71.89 -25.46 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -33.31 -46.18 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 1.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' A' ' 102' ' ' PRO . 0.5 OUTLIER -73.85 -68.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.454 0.738 . . . . 1.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 115.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -152.84 159.67 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 116.981 -1.485 . . . . 1.0 109.292 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.84 146.79 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 1.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.7 -58.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 54.0 t30 53.76 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 1.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -60.17 168.21 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.55 71.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 57.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 1.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' HG21 ' A' ' 78' ' ' THR . 0.0 OUTLIER -54.79 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 1.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.917 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -77.02 172.52 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.561 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 101' ' ' ALA . 22.8 t -81.09 29.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 12.7 p-90 -149.95 2.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.988 -1.116 . . . . 1.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 35' ' ' VAL . 21.7 t80 -117.54 113.99 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.604 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.8 -60.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 1.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.0 -165.68 27.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 1.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 126.73 10.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 1.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 24' ' ' LEU . 24.3 t -128.7 129.17 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 1.0 109.257 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.5 p -76.06 154.22 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -61.65 -53.2 59.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 1.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -46.28 -54.69 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.82 -45.03 94.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' CB ' HH21 ' A' ' 36' ' ' ARG . . . -42.24 -72.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 1.0 109.349 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -43.06 -37.98 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.342 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 21.3 t80 -75.22 -72.2 0.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 1.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.3 pp -44.37 -46.31 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 109.249 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' A' ' 50' ' ' ARG . 1.6 tt -54.55 81.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.2 t -85.29 78.36 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 1.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.453 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 4.0 t 64.11 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 1.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.63 -110.14 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 1.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -108.54 -179.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 1.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -73.51 -2.98 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 50' ' ' ARG . . . -175.79 105.35 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.607 1.192 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -131.98 143.95 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.761 . . . . 1.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -116.26 144.63 43.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 1.0 111.046 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 0.3 OUTLIER -112.07 157.8 20.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.383 1.052 . . . . 1.0 109.236 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -114.97 149.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.639 ' CZ ' ' HB3' ' A' ' 48' ' ' SER . 4.0 mtt180 -128.62 170.6 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.7 tt0 -129.32 167.0 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 93.1 p -41.08 141.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 1.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.1 tm-20 -166.29 89.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 4.2 m 79.86 10.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 1.0 110.072 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -112.42 -179.98 0.71 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 1.0 109.974 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.91 37.2 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 41' ' ' SER . . . 69.17 65.66 2.53 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 1.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 1.6 pt20 -125.72 -174.07 2.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 0.766 . . . . 1.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.661 ' CB ' HD12 ' A' ' 60' ' ' ILE . 5.1 mpt_? -123.66 158.17 32.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 1.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.553 ' CB ' ' HB2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -122.9 172.42 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -132.49 149.65 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 1.0 109.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.639 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.86 132.68 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.26 146.18 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 1.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.13 117.66 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.0 110.3 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.58 38.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 51' ' ' TYR . . . -153.03 -69.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 1.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.89 -175.02 4.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.432 0.724 . . . . 1.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -113.21 122.03 66.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.391 1.057 . . . . 1.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.83 144.25 25.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 1.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -118.42 113.05 20.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.448 1.092 . . . . 1.0 109.599 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -128.58 106.1 8.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 1.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 148.0 44.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.681 HG21 HD22 ' A' ' 68' ' ' LEU . 29.5 mt -71.04 149.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.148 . . . . 1.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.76 132.39 54.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.445 1.091 . . . . 1.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.1 m -110.49 140.54 44.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.421 1.076 . . . . 1.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 69' ' ' TYR . . . -74.51 -177.24 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 1.0 109.364 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 1.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.39 -54.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.04 -17.71 1.38 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.523 1.139 . . . . 1.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 62' ' ' THR . 0.7 OUTLIER -70.1 159.76 33.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 1.0 109.36 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 HG21 ' A' ' 60' ' ' ILE . 4.1 mt -103.69 110.4 22.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.805 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 2.3 p90 -131.46 100.67 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 93' ' ' LEU . 6.6 t -70.42 -14.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 132.98 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 1.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 p -54.93 -18.51 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.24 -7.94 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 110.229 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 108.07 7.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 1.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 141.6 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 46.2 m-85 -138.23 169.95 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -114.22 -21.49 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.548 HG21 ' NZ ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -125.56 135.21 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.211 . . . . 1.0 110.449 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -48.58 -47.05 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . -45.62 -65.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 3.7 mm-40 -48.72 -40.64 29.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 1.0 110.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD11 ' CG2' ' A' ' 70' ' ' VAL . 4.2 tt -59.67 -42.91 93.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 97' ' ' LEU . 53.7 t -69.69 -46.19 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -50.59 8.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 61.4 t60 -71.6 -42.87 67.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 1.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.775 ' CD2' HD21 ' A' ' 93' ' ' LEU . 5.9 m-70 -77.36 13.73 1.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 1.0 109.644 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -94.23 -25.35 17.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.521 1.138 . . . . 1.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -126.94 -38.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.9 t -127.5 84.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -75.88 77.62 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 1.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.59 4.49 11.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 1.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.91 -68.73 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.416 1.073 . . . . 1.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -69.49 148.31 49.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 1.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -47.18 -82.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.229 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.7 t -79.32 -167.28 1.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 1.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.708 ' C ' ' CZ ' ' A' ' 33' ' ' PHE . 15.8 p -120.41 117.47 27.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 1.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 83' ' ' VAL . 1.8 mp -38.59 120.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 7.9 t60 -141.32 63.58 1.43 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 1.0 109.641 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.786 ' CE2' ' O ' ' A' ' 33' ' ' PHE . 3.0 p90 -152.65 47.65 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 99' ' ' TYR . 18.7 Cg_endo -74.98 36.45 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 99' ' ' TYR . . . -74.21 124.99 90.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.429 1.752 . . . . 1.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.591 ' HD2' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.55 144.62 39.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 1.0 109.325 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -93.21 99.73 12.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 1.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 104' ' ' ARG . . . -35.87 133.8 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 1.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 106' ' ' ILE . 0.0 OUTLIER -69.25 -41.46 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 1.0 109.246 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.648 ' CD2' HG23 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -156.25 161.4 40.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 1.0 109.683 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.601 ' CD ' ' CG ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER 62.91 84.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.319 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.907 -1.52 . . . . 1.0 109.291 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.532 1.11 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.3 p 81.97 -52.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.615 0.832 . . . . 1.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.49 59.5 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 1.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.5 167.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 1.0 109.25 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.6 77.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 1.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 39.51 49.36 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -75.6 62.62 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.1 tmtp? -61.34 -124.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.639 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -71.31 -175.98 1.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 1.0 109.595 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.472 ' OG ' ' CG ' ' A' ' 100' ' ' PRO . 38.9 p -76.07 -3.87 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.639 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-90 -111.41 11.35 21.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 1.0 108.06 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.958 ' CD1' HG11 ' A' ' 35' ' ' VAL . 1.5 t80 -128.54 121.83 29.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -125.33 -77.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.617 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.39 -157.0 8.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.83 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 1.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.9 p -111.48 135.5 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 134.23 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 110.013 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 19' ' ' ASN . 1.4 ptt180 -56.05 -40.09 72.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER -56.21 -58.21 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 1.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -59.25 -49.7 76.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 1.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.1 -35.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 2.2 mm-40 -73.49 -42.36 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 62.9 t80 -75.93 -58.82 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.2 tp -41.76 -49.1 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.621 HD22 ' OG ' ' A' ' 32' ' ' SER . 5.9 mt -51.9 90.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LEU . 30.2 p -140.88 -54.19 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 1.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -76.49 108.52 9.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 1.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 167.78 -138.83 5.37 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.538 1.149 . . . . 1.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -126.63 -166.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.348 0.675 . . . . 1.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' N ' HG13 ' A' ' 29' ' ' ILE . 6.8 p30 -77.71 19.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.654 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . -162.04 114.7 0.62 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.403 1.064 . . . . 1.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.656 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 64.6 p -152.1 155.95 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -138.92 171.58 14.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.458 1.099 . . . . 1.0 110.977 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' ' HG ' ' A' ' 48' ' ' SER . 4.4 mt -152.55 -176.59 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG11 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -134.78 137.22 51.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.0 109.22 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -129.04 132.65 47.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -113.52 117.26 31.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 1.0 110.246 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 10.9 t -48.47 176.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 1.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' SER . 29.3 mt-10 -122.54 -60.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -75.38 39.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 1.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' HB2' ' A' ' 44' ' ' GLN . 7.1 p -132.54 152.47 80.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 110.017 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.21 4.12 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 1.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.56 70.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -104.35 145.74 29.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 0.779 . . . . 1.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 79' ' ' LEU . 4.0 mpt_? -128.71 145.97 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -135.45 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 1.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.35 129.24 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 1.0 109.314 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' HG ' ' HB2' ' A' ' 34' ' ' LEU . 58.5 p -114.81 87.88 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 1.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.892 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -95.47 156.13 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.804 ' CB ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.36 163.36 36.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.59 1.182 . . . . 1.0 110.339 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -138.74 -76.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 1.0 111.007 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' H ' ' A' ' 53' ' ' GLY . 3.2 tt0 -78.94 -121.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 52' ' ' GLU . . . -103.29 30.43 10.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 1.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 56' ' ' TYR . 4.0 ptp85 -147.8 156.46 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 1.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG22 ' CB ' ' A' ' 50' ' ' ARG . 43.4 t -124.53 135.7 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 1.0 109.243 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.2 m-85 -98.73 135.36 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -111.75 110.27 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.609 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 117.49 21.95 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.586 1.179 . . . . 1.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 156.6 20.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 1.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.121 HG21 HD23 ' A' ' 68' ' ' LEU . 15.7 mm -66.76 126.69 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.61 123.86 32.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 67' ' ' LYS . 32.4 m -113.1 139.04 49.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 1.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.74 -178.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 1.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -83.72 44.96 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -150.81 -56.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 1.0 109.2 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.07 -28.63 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB2' ' CD ' ' A' ' 75' ' ' ARG . 11.3 mttp -54.88 157.43 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 1.0 109.373 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.121 HD23 HG21 ' A' ' 60' ' ' ILE . 6.1 mp -105.83 114.49 28.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 1.9 p90 -136.38 128.03 28.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.854 HG11 ' CD2' ' A' ' 93' ' ' LEU . 12.7 t -93.49 -23.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 32.6 t -121.54 -76.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 1.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 71' ' ' SER . 7.9 p 165.53 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 110.024 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -4.16 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 1.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.545 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 1.3 m -128.09 46.67 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.961 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 1.9 ttm105 -70.79 164.23 25.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 1.0 110.265 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 85' ' ' HIS . 40.9 m-85 -146.08 176.48 9.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 1.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.81 -26.93 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.06 142.95 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -44.65 -54.7 5.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 1.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.82 -63.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 1.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -45.1 -25.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 1.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.78 -59.05 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 1.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' A' ' 97' ' ' LEU . 2.5 t -65.06 -39.21 84.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 1.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -56.48 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 1.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 45.3 t60 -67.09 -47.63 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.875 ' CD2' HD21 ' A' ' 93' ' ' LEU . 9.3 m-70 -66.65 -1.21 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.563 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 83' ' ' VAL . 2.1 p -77.49 -38.81 48.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 p -116.51 -26.45 7.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 1.0 110.443 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 91' ' ' ASP . 77.2 t -135.4 88.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB3' HG22 ' A' ' 96' ' ' THR . . . -76.47 56.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.434 1.084 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' SER . 13.6 t70 -77.3 47.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 1.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -168.67 -66.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 1.0 110.989 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.875 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -79.03 136.62 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 1.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' H ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -42.04 -83.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.722 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.4 t -70.43 153.45 42.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 1.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.895 HG22 ' HB3' ' A' ' 90' ' ' ALA . 23.9 p -100.08 118.48 36.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 1.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' A' ' 83' ' ' VAL . 1.9 mt -22.43 140.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.0 109.228 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.787 ' CE1' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -103.19 -76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.17 . . . . 1.0 109.547 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' CD1' ' CE1' ' A' ' 98' ' ' HIS . 0.3 OUTLIER -147.16 131.68 8.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.0 84.66 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.509 1.794 . . . . 1.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . . . -45.04 151.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.224 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 154.29 42.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.375 1.724 . . . . 1.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.724 ' NZ ' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -80.57 104.91 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 1.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 130.32 40.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 110.24 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.86 162.33 22.4 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.416 1.072 . . . . 1.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 2.7 mt -134.17 66.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 0.719 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 106' ' ' ILE . 1.9 p-80 39.11 58.25 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 1.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.38 106.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.04 -1.457 . . . . 1.0 109.298 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -75.86 78.38 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 1.0 110.052 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' SER . . . -116.27 58.9 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.557 1.16 . . . . 1.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.36 -64.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.773 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 3' ' ' GLY . 52.4 p -114.82 157.74 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 1.0 109.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -79.04 73.47 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 109.378 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -75.74 70.69 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -43.89 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HB2' ' CE2' ' A' ' 11' ' ' TRP . 1.3 m-70 -106.03 -172.48 2.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 1.0 109.643 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -83.65 20.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 1.0 109.968 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 4.7 p-90 -135.65 14.76 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 1.5 t80 -112.02 111.1 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -105.45 -79.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 109.582 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -167.65 -122.67 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 1.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.3 Cg_endo -75.03 155.94 42.81 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 1.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 7.6 p -69.97 61.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 1.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -77.84 60.9 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.0 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 110.364 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -57.97 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -66.33 -44.9 82.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 1.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -43.87 -42.91 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 1.0 109.268 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -65.55 -45.55 82.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 1.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' C ' ' N ' ' A' ' 25' ' ' LEU . 28.7 t80 -72.84 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 1.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -44.13 -25.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -50.39 89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.387 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' LEU . 13.1 t -125.36 -159.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 1.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' SER . 2.4 m 78.54 -55.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 1.0 109.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.72 0.61 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 1.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -107.68 178.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.99 2.15 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' ' HD2' ' A' ' 98' ' ' HIS . . . 137.48 134.08 3.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 1.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 29' ' ' ILE . 60.6 p -157.83 155.25 29.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.874 ' CD2' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -113.97 172.01 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -152.5 129.06 10.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.0 109.181 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -96.62 137.61 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 6.5 mtt-85 -128.86 -179.15 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 1.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 8.2 pt-20 -125.53 133.7 52.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 p -47.47 138.33 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 110.035 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -90.92 70.7 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 171.65 -50.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.057 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.66 111.51 39.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 1.0 109.944 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 52.97 3.17 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.483 1.78 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.77 ' O ' HD21 ' A' ' 68' ' ' LEU . . . -138.61 -37.0 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 1.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -103.7 139.52 38.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 0.723 . . . . 1.0 110.288 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.76 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -123.38 150.51 43.62 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 1.0 110.404 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.583 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 11.4 m -101.97 178.12 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.745 HD12 HH11 ' A' ' 45' ' ' ARG . 0.0 OUTLIER -135.18 140.37 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.558 ' C ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -129.19 123.96 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.811 HD13 ' HB3' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -110.32 159.17 17.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 1.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.72 ' HB2' HD21 ' A' ' 25' ' ' LEU . 1.1 tmt_? -153.41 146.77 24.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.082 . . . . 1.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 20.5 m-85 -131.17 -100.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 1.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 34.63 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.49 -37.78 2.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 1.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -70.44 136.86 49.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 1.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' LEU . 2.9 p -131.75 131.11 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.477 1.111 . . . . 1.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 54' ' ' ARG . 56.7 m-85 -104.94 128.62 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 1.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 30.7 m80 -111.76 105.48 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.5 101.66 6.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 1.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -70.59 153.51 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 1.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.76 HD12 ' CD ' ' A' ' 45' ' ' ARG . 26.2 mt -102.63 169.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.39 178.42 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 m -113.45 154.26 27.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 1.0 110.389 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.75 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -178.84 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 1.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.75 -40.75 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 1.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -26.0 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 1.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.31 135.72 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 1.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 43' ' ' GLY . 3.1 mp -104.4 119.27 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.374 1.046 . . . . 1.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -122.63 148.31 45.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.497 1.123 . . . . 1.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HD13 ' A' ' 93' ' ' LEU . 2.2 t -106.88 -16.85 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 72' ' ' SER . 43.4 t -135.67 2.07 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 1.0 110.09 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.531 ' HA ' ' CG ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER 80.46 -48.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.016 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -2.6 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 71.09 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 1.0 109.99 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -87.1 144.88 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 1.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 91.4 m-85 -137.71 132.82 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 1.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.475 ' ND2' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -77.58 -32.92 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' ND2' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -108.57 143.08 38.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 1.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.52 -61.33 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 1.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.88 -53.99 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.32 -38.03 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 1.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 70' ' ' VAL . 3.0 tt -59.75 -60.75 3.34 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.543 1.152 . . . . 1.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 87' ' ' SER . 3.1 t -57.6 -37.1 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -46.78 -59.88 2.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -66.05 -53.64 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.629 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 93' ' ' LEU . 37.1 m-70 -63.59 3.54 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 1.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.577 ' H ' ' C ' ' A' ' 85' ' ' HIS . 8.2 t -70.53 -49.42 48.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.545 HG23 HG23 ' A' ' 89' ' ' VAL . 8.5 t -114.22 -24.94 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 1.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 88' ' ' THR . 41.7 t -124.6 77.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' THR . . . -72.25 66.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 1.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.83 26.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . -142.45 -68.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 1.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.978 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -61.53 154.65 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 1.0 109.22 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -43.35 -83.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 96' ' ' THR . 4.3 t -80.0 -132.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 1.047 . . . . 1.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -126.06 173.9 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 1.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 33' ' ' PHE . 78.8 mt -102.36 116.79 33.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 1.134 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.664 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -101.0 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.512 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 98' ' ' HIS . 18.6 p90 -136.94 109.36 9.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.64 ' HD3' ' CZ ' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -75.05 95.74 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.49 1.784 . . . . 1.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -41.02 162.61 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 1.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 18.6 Cg_endo -74.85 139.7 25.01 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.428 1.751 . . . . 1.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 154.62 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -97.0 133.5 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 110.317 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -38.42 153.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.577 1.173 . . . . 1.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -90.1 124.59 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 1.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -90.42 63.11 5.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 1.0 109.601 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 64.89 -67.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 1.0 110.369 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.821 ' HB2' HD11 ' A' ' 106' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.967 -1.492 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p 50.23 78.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 1.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.92 70.38 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 1.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -53.39 100.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.757 . . . . 1.0 109.241 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m 39.23 82.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 1.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.28 89.2 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 1.156 . . . . 1.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 61.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -54.59 -102.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.617 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -84.72 -175.58 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 1.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.432 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 16.9 m -80.23 4.73 16.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.617 ' CZ2' ' CD2' ' A' ' 9' ' ' HIS . 5.1 p-90 -120.89 12.1 11.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.046 -1.094 . . . . 1.0 108.046 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -118.42 109.89 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.953 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -117.64 -81.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 1.0 109.667 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.33 -155.1 9.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 1.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 37' ' ' GLU . 17.9 Cg_endo -75.09 116.76 4.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 1.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.28 122.89 26.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.38 160.39 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 1.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 80.4 mtm-85 -58.73 -46.97 86.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -53.87 -56.98 12.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -62.21 -41.64 98.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.602 1.189 . . . . 1.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 34' ' ' LEU . . . -44.68 -47.23 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 1.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.942 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -67.35 -34.36 77.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 1.0 110.358 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' ALA . 36.1 t80 -75.33 -65.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -43.37 -30.77 0.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.014 HD23 ' HD2' ' A' ' 50' ' ' ARG . 5.8 tp -53.87 160.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.646 ' H ' HD12 ' A' ' 25' ' ' LEU . 32.6 t -76.32 48.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.091 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.546 ' O ' ' O ' ' A' ' 26' ' ' SER . 2.7 t 51.99 162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 1.0 110.053 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' SER . . . -37.48 121.79 0.91 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 1.0 111.016 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -128.28 -173.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 1.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -1.12 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 137.93 106.9 0.77 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 29' ' ' ILE . 17.9 t -130.78 159.22 37.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 1.0 110.075 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -133.16 154.14 50.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 1.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -155.6 117.63 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 47' ' ' ILE . 70.6 t -71.28 140.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -126.58 -173.74 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.276 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 1.7 mt-10 -116.91 139.05 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' SER . 5.7 p -76.25 65.58 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 1.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 40' ' ' SER . 1.6 tp10 -38.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 1.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 1.8 m 151.27 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.09 . . . . 1.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -113.28 170.99 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 1.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 1.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -96.4 66.97 1.0 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 1.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' SER . 1.9 mp0 -119.33 141.3 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' ILE . 1.2 mmt180 -128.46 146.89 50.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -119.46 174.65 6.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 1.0 109.996 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -127.28 124.8 64.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.191 . . . . 1.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -115.6 95.03 4.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -98.91 155.49 17.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 1.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 1.014 ' HD2' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -153.84 148.14 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 110.336 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 m-85 -109.02 -126.96 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 29' ' ' ILE . 9.9 tp10 -84.86 49.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.45 -42.56 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 6.7 ttm180 -69.02 139.48 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 1.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.942 HG21 ' HB3' ' A' ' 22' ' ' GLU . 16.9 t -129.37 110.44 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 1.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.3 m-85 -91.7 139.7 30.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 1.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 22' ' ' GLU . 10.6 m-70 -117.82 106.66 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.387 1.054 . . . . 1.0 109.644 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.45 103.67 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 1.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -69.97 140.03 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 1.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 45' ' ' ARG . 4.9 mt -68.31 149.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 1.0 109.395 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.77 146.07 34.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.3 m -111.55 150.48 29.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 1.0 110.428 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -75.59 52.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 1.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ALA . 3.5 t 33.85 36.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 1.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.5 m-20 -142.16 -56.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 1.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.17 -36.2 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 1.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -60.29 149.1 34.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 1.0 109.369 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -103.62 117.68 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 1.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.737 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 3.8 p90 -137.57 106.51 5.96 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.484 1.115 . . . . 1.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 93' ' ' LEU . 34.3 t -72.7 -15.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 1.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -149.93 134.45 17.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 1.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -55.2 -16.23 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 1.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -88.24 -21.86 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 1.0 110.243 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -135.56 106.12 6.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 1.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 142.19 48.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 1.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 33.2 m-85 -137.12 168.1 20.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -105.31 -25.97 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 80' ' ' ALA . 2.6 t -123.19 138.07 54.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 1.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -48.65 -28.44 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 1.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.758 ' HB3' HG23 ' A' ' 78' ' ' THR . . . -54.0 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 1.0 109.325 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 76' ' ' PHE . 4.3 mm-40 -44.57 -25.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 1.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -67.84 -56.8 7.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD13 ' A' ' 97' ' ' LEU . 2.0 t -68.74 -42.63 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 1.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.79 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.66 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 56.9 t60 -73.15 -40.48 64.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.945 ' CD2' HD21 ' A' ' 93' ' ' LEU . 21.0 m-70 -76.69 9.97 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 1.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' VAL . 32.5 t -93.96 -27.99 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.952 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.2 p -119.68 -34.62 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.0 110.442 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.0 t -133.15 85.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 92' ' ' GLY . . . -69.28 66.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -79.96 25.25 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 90' ' ' ALA . . . -151.13 -66.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 1.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.945 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -74.22 142.09 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 1.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG23 ' H ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -45.05 -81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.309 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' CE2' ' A' ' 33' ' ' PHE . 1.8 t -77.38 179.3 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.419 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -119.24 116.34 26.07 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 1.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 HG13 ' A' ' 83' ' ' VAL . 1.4 mp -29.78 143.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.669 ' ND1' ' O ' ' A' ' 31' ' ' GLY . 2.5 p-80 -123.22 -49.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 1.099 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.59 109.88 3.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.532 ' HB3' ' HB3' ' A' ' 11' ' ' TRP . 18.7 Cg_endo -75.01 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.437 1.756 . . . . 1.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . . . -46.21 107.82 0.74 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 150.63 37.92 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.511 1.795 . . . . 1.0 111.006 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.518 ' CD ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 mmmt -71.42 107.09 4.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 1.0 109.319 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.08 -56.54 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.31 -110.5 3.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.48 1.112 . . . . 1.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.0 tp -115.35 155.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.77 92.75 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 1.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.3 ptm180 -129.32 -39.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 19.5 p-10 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.063 -1.446 . . . . 1.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 81.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 1.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.84 67.08 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.422 1.076 . . . . 1.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -55.08 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 1.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -75.6 -159.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.35 -156.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -72.67 60.18 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 1.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.66 -115.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.0 109.371 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.551 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -73.78 -178.43 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 1.0 109.582 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 100' ' ' PRO . 21.1 p -78.24 5.79 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 1.0 109.959 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 80' ' ' ALA . 5.5 p-90 -125.26 0.48 7.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 1.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.229 ' CE2' HD11 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -108.82 108.78 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.48 -53.83 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 109.661 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.89 -157.44 27.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.419 1.074 . . . . 1.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CA ' ' HG2' ' A' ' 37' ' ' GLU . 18.5 Cg_endo -75.01 120.32 6.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 1.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 16.8 t -140.09 148.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.7 m -75.7 125.95 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 1.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.724 ' N ' HH12 ' A' ' 36' ' ' ARG . 9.0 mtp-105 -50.46 -37.22 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 1.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.83 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.37 -36.56 68.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 1.0 109.275 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.057 ' HB2' ' NH2' ' A' ' 36' ' ' ARG . . . -48.11 -64.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -54.52 -37.13 64.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 1.0 110.209 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 44.2 t80 -67.09 -69.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.1 pp -55.88 -28.17 55.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.183 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 50' ' ' ARG . 35.2 tp -60.71 -19.49 58.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 1.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.2 m -38.04 -50.83 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 1.0 109.964 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -77.26 87.11 3.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' NH2' ' A' ' 50' ' ' ARG . . . -176.9 160.4 27.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 1.0 111.041 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -83.88 179.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 1.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.7 p-10 -78.96 42.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.295 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 29' ' ' ILE . . . -173.91 83.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.543 1.152 . . . . 1.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 50' ' ' ARG . 4.7 p -150.12 140.41 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.73 ' HE2' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -133.2 135.31 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -130.89 102.58 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.39 1.056 . . . . 1.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' HE ' ' A' ' 45' ' ' ARG . 76.0 t -65.8 144.44 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 1.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.057 ' NH2' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -112.1 178.86 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.063 . . . . 1.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.32 168.23 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 1.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 p -41.47 134.92 2.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 1.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 2.0 tp10 -113.27 -34.15 5.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 1.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.514 ' CB ' ' NH2' ' A' ' 59' ' ' ARG . 20.5 m -125.88 -37.04 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 1.0 110.052 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.545 ' HB3' ' CG ' ' A' ' 44' ' ' GLN . 21.9 t -110.91 117.14 50.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 1.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 94.46 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.513 1.796 . . . . 1.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -19.91 0.56 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.407 1.067 . . . . 1.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CG ' ' HB3' ' A' ' 41' ' ' SER . 0.1 OUTLIER -110.03 158.0 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.586 0.815 . . . . 1.0 110.197 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 1.039 ' CD ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -128.65 156.75 42.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 1.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.668 ' N ' ' HG2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -106.45 175.44 5.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 1.0 110.052 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.7 129.61 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.338 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.7 p -120.58 80.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 1.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.758 HD13 ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -78.74 153.09 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.22 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.836 ' HG3' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -121.46 130.03 53.32 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 1.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -116.67 -151.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 111.003 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 58.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' TYR . . . 89.13 2.2 77.95 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.59 1.181 . . . . 1.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -110.34 127.74 55.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.367 0.686 . . . . 1.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' HD23 ' A' ' 25' ' ' LEU . 2.1 t -109.32 126.89 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 1.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 22.2 m-85 -108.32 124.22 50.0 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 1.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 35.0 m80 -114.66 108.4 16.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -127.89 127.81 44.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.164 . . . . 1.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' NH2' ' CB ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.28 131.94 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 1.0 110.291 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.039 HD12 ' CD ' ' A' ' 45' ' ' ARG . 89.5 mt -82.78 154.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.39 1.056 . . . . 1.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -101.93 157.33 16.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 66' ' ' GLY . 30.7 m -111.37 158.89 18.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 1.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -72.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 m -168.71 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 1.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.59 -42.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 1.0 109.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' THR . . . 170.18 -29.82 0.13 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.495 1.122 . . . . 1.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.04 136.1 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 1.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mp -101.54 128.46 47.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 1.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.749 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -139.66 106.27 5.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.078 HG23 HD11 ' A' ' 82' ' ' LEU . 14.7 t -73.21 -16.19 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -143.24 133.18 24.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.0 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.7 p -53.57 -19.03 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 1.0 109.963 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.49 -11.36 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -135.44 115.08 12.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 1.0 110.062 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 142.35 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 1.0 110.228 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.723 ' HD2' HD12 ' A' ' 82' ' ' LEU . 39.3 m-85 -137.56 166.03 24.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.567 1.167 . . . . 1.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.71 -25.44 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -122.32 129.0 51.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 110.354 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.229 HD11 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -43.57 -52.03 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 1.0 109.259 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -44.11 -56.35 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 1.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.597 ' H ' HG22 ' A' ' 78' ' ' THR . 2.1 mm-40 -51.82 -27.93 14.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 1.0 110.23 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.078 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -68.26 -55.87 10.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.082 HG22 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -60.5 -38.95 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.0 109.23 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' SER . 0.1 OUTLIER -48.85 -50.96 32.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 35.8 t60 -71.96 -40.39 68.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 1.189 . . . . 1.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.606 ' CD2' ' HG ' ' A' ' 93' ' ' LEU . 16.0 m-70 -76.71 5.25 7.93 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.133 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 72.6 m -80.99 -23.48 38.69 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.482 1.114 . . . . 1.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.9 p -127.18 -41.82 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 1.0 110.378 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 89' ' ' VAL . 5.6 t -125.26 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.14 . . . . 1.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 93' ' ' LEU . . . -72.71 78.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.75 4.37 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.386 1.054 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 70' ' ' VAL . . . -134.81 -66.25 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.541 1.151 . . . . 1.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.83 138.42 56.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 0.816 . . . . 1.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.84 HD13 ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -58.97 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 1.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.84 ' N ' HD13 ' A' ' 94' ' ' ILE . 14.2 t -81.25 -176.49 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LEU . 6.0 p -137.5 117.83 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 1.0 110.448 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.082 HD22 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -36.69 147.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 52.6 t60 -113.5 -85.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.608 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.796 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 3.2 p90 -127.84 101.16 23.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.429 ' HB2' ' OG ' ' A' ' 10' ' ' SER . 18.7 Cg_endo -74.97 89.63 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.551 1.816 . . . . 1.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . . . -66.37 153.49 92.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 1.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.42 29.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 1.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -89.23 88.61 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.22 135.64 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 110.351 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.05 62.37 0.2 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.574 1.171 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -80.23 108.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.357 0.681 . . . . 1.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER 74.37 -60.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.601 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.37 -55.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 1.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.71 ' O ' ' CG ' ' A' ' 109' ' ' ASP . 1.1 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.936 -1.507 . . . . 1.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -130.17 79.0 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.628 0.84 . . . . 1.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.52 100.78 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' CZ ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -40.55 107.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 1.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.619 ' O ' HD23 ' A' ' 6' ' ' LEU . 20.2 p -170.1 169.86 7.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 1.0 109.921 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER 82.81 140.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 8' ' ' LYS . 1.4 mt-10 -76.63 74.32 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 1.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -59.79 -121.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.55 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.5 OUTLIER -69.83 -179.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 1.0 109.531 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.496 ' C ' ' HB2' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -75.56 -3.94 37.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.599 1.187 . . . . 1.0 110.054 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.838 ' HZ3' HD12 ' A' ' 79' ' ' LEU . 6.4 p-90 -114.36 5.44 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 1.0 107.943 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD2' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -111.39 120.97 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 110.971 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.665 ' CG ' ' HD2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -134.01 -76.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.549 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 13' ' ' HIS . . . -175.17 -154.32 11.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 1.0 111.008 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 18.0 Cg_endo -75.13 115.65 4.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 1.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 36' ' ' ARG . 87.9 t -145.61 116.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 1.0 109.401 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -75.33 153.51 37.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 1.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 mtp-105 -45.08 -32.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -45.93 -63.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . -66.54 -45.68 78.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -46.21 -38.63 8.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 1.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.85 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -74.0 -33.12 63.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.584 1.178 . . . . 1.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.2 t80 -76.76 -62.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 21' ' ' ALA . 3.6 pp -45.01 -39.38 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' A' ' 50' ' ' ARG . 1.5 tp -60.96 -144.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.6 m 83.64 -45.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 t -93.72 54.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 1.0 110.043 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.68 -171.11 14.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 1.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 98' ' ' HIS . 8.1 pt -118.42 -155.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 1.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.544 ' N ' HG13 ' A' ' 29' ' ' ILE . 21.4 p30 -79.08 21.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' TYR . . . -175.93 108.61 0.26 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 1.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -152.37 131.34 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 1.0 109.99 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 2.7 p90 -135.3 158.08 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -156.02 127.15 7.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.868 HG21 HD13 ' A' ' 79' ' ' LEU . 1.2 p -73.17 135.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.615 1.197 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 0.0 OUTLIER -127.91 102.0 6.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.14 137.07 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -69.51 156.57 38.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -87.68 -73.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 t -90.22 65.56 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 1.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.7 162.57 48.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 44' ' ' GLN . 18.3 Cg_endo -75.03 -6.05 17.54 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.536 1.809 . . . . 1.0 111.065 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.14 49.97 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -120.22 140.79 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 0.812 . . . . 1.0 110.251 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.837 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -121.56 173.98 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 1.0 110.341 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -129.16 168.29 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.621 1.201 . . . . 1.0 110.026 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -136.82 117.39 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 2.6 p -111.77 105.29 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 1.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 94' ' ' ILE . 35.7 tp -90.51 168.35 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.783 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -143.98 138.58 28.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 110.209 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -114.58 -156.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 3.5 pt-20 -100.9 45.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.68 -53.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -144.06 -175.42 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 1.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.85 HG11 ' HG2' ' A' ' 22' ' ' GLU . 3.9 p -104.77 169.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 1.0 109.382 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.639 ' CG ' HD12 ' A' ' 94' ' ' ILE . 33.3 m-85 -131.54 146.63 52.32 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 18' ' ' ARG . 59.0 m-70 -128.63 101.29 6.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.48 1.112 . . . . 1.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD2' HG23 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -128.71 103.35 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 1.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 1.4 ptt180 -68.2 150.32 48.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 1.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.35 -35.27 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.37 153.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.198 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 63' ' ' ALA . 7.7 m -112.12 164.85 12.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 1.0 110.458 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -87.1 41.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.3 t 43.8 33.9 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.013 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.717 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -149.17 -55.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.69 -58.84 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -44.41 140.32 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 1.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.33 110.3 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -125.65 132.7 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 93' ' ' LEU . 3.6 t -81.51 -53.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.441 1.088 . . . . 1.0 109.287 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' ASP . 43.7 t -85.03 -68.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 69' ' ' TYR . 7.6 p 169.26 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 1.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -4.48 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 1.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.0 68.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.595 1.185 . . . . 1.0 109.966 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.88 145.15 24.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.522 1.139 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' A' ' 82' ' ' LEU . 77.6 m-85 -137.24 178.52 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.444 ' CG ' ' N ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -112.7 -46.47 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -110.13 130.88 55.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 1.0 110.36 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.868 HD13 HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -45.58 -45.58 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . . . -43.43 -61.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -33.71 51.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 1.0 110.26 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -63.49 -55.34 24.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 1.0 109.229 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 97' ' ' LEU . 2.7 t -57.49 -36.4 53.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -57.34 12.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 1.0 109.673 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CG ' ' HZ ' ' A' ' 76' ' ' PHE . 53.4 t60 -65.03 -43.81 91.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.622 ' CD2' HD21 ' A' ' 93' ' ' LEU . 6.2 m-70 -71.99 3.74 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 1.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.926 ' HA ' HD21 ' A' ' 97' ' ' LEU . 1.3 p -82.44 -39.34 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.463 HG23 ' OG ' ' A' ' 87' ' ' SER . 36.7 p -112.43 -35.81 5.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 1.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 89.8 t -123.39 82.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 1.0 109.212 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 95' ' ' THR . . . -68.53 65.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 1.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' VAL . 55.8 m-20 -77.5 49.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.349 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.506 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 174.72 -63.44 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.145 . . . . 1.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.775 ' CG1' ' H ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -48.28 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.154 . . . . 1.0 109.313 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.775 ' H ' ' CG1' ' A' ' 94' ' ' ILE . 14.4 m -88.93 -123.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 1.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' C ' ' A' ' 97' ' ' LEU . 1.1 p -150.6 126.38 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 1.0 110.49 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -31.0 144.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.666 ' CD2' HD11 ' A' ' 29' ' ' ILE . 10.0 t60 -138.0 -54.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.644 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -128.42 110.98 19.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 1.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.496 ' HB2' ' C ' ' A' ' 10' ' ' SER . 18.2 Cg_endo -74.98 78.03 2.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 1.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.4 100.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 100' ' ' PRO . 18.0 Cg_endo -75.1 -179.0 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 1.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.665 ' HD2' ' CG ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -94.65 156.99 16.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 1.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 84.09 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.33 -117.84 3.76 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.122 . . . . 1.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.645 HG22 ' CD2' ' A' ' 107' ' ' HIS . 42.2 mm -108.41 -71.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 1.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.645 ' CD2' HG22 ' A' ' 106' ' ' ILE . 3.8 p80 176.81 55.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 1.0 109.602 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.3 61.04 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.98 -1.486 . . . . 1.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' N ' HH22 ' A' ' 45' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p 51.93 175.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 0.733 . . . . 1.0 110.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 4' ' ' ASN . . . -107.38 -121.99 4.78 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.529 1.143 . . . . 1.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.3 p30 41.3 45.03 2.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 1.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 13.4 t 65.89 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 1.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -176.94 -27.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 1.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.61 ' OE1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.04 72.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.227 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tttt -56.55 -109.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 1.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -69.09 179.05 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 1.0 109.555 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 100' ' ' PRO . 61.4 m -81.84 28.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.997 ' CH2' HD12 ' A' ' 79' ' ' LEU . 4.1 p-90 -147.06 13.08 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 1.0 107.982 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.453 ' OH ' ' NE ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -113.0 111.85 22.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -111.61 -83.81 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 1.0 109.613 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.54 -153.32 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 111.43 3.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.613 1.849 . . . . 1.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG12 ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -127.76 137.11 58.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 109.366 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -58.72 126.89 29.52 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.572 1.17 . . . . 1.0 110.011 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 4.6 ptt85 -54.79 -36.06 64.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 1.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -47.51 -52.51 17.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.344 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -68.88 -42.38 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 1.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . . . -43.55 -56.61 3.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.01 -36.2 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 83.7 t80 -69.24 -67.19 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 1.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 21' ' ' ALA . 4.2 pp -43.46 -32.07 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.609 1.193 . . . . 1.0 109.391 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -52.49 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 25' ' ' LEU . 3.4 m 27.96 67.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 110.037 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 p -179.25 131.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 1.0 109.919 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.21 117.01 3.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 1.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD13 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -128.18 -165.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 1.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.16 -5.53 39.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 120.3 0.57 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.561 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 p -128.73 141.7 51.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 1.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 1.143 ' CE2' HG23 ' A' ' 95' ' ' THR . 0.0 OUTLIER -158.95 162.89 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -154.05 120.76 5.55 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.512 1.132 . . . . 1.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 79' ' ' LEU . 6.4 t -70.77 149.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.37 1.044 . . . . 1.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NH2' ' CB ' ' A' ' 21' ' ' ALA . 1.9 mtm180 -129.17 -172.31 2.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.402 1.064 . . . . 1.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -137.89 121.48 17.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 1.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 156.4 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.353 1.033 . . . . 1.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 41' ' ' SER . 3.4 mt-10 -100.15 162.61 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 15.0 m 76.27 -41.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.621 1.201 . . . . 1.0 109.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 13.5 p -113.28 90.67 17.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 1.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -74.99 45.78 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.54 1.811 . . . . 1.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -142.16 -32.25 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 1.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' OG ' ' A' ' 41' ' ' SER . 1.9 pt20 -102.8 132.23 49.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 1.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' NE ' ' OH ' ' A' ' 12' ' ' TYR . 11.0 mpt_? -112.63 167.48 10.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 1.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -112.15 171.31 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -137.31 125.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -111.92 100.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.936 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.889 HD13 ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -104.58 142.87 33.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 1.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.54 ' HB2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.97 122.62 20.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 6.6 m-85 -99.3 -165.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -80.34 46.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 1.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.32 -68.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 1.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -145.32 -177.76 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.646 0.85 . . . . 1.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 22' ' ' GLU . 14.4 p -106.16 155.85 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' HG2' ' A' ' 54' ' ' ARG . 14.8 m-85 -133.47 130.89 39.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' ARG . 2.4 m-70 -111.16 112.04 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.652 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.66 111.27 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 1.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.0 ptp180 -69.21 139.0 54.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 1.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.625 ' CG2' HD22 ' A' ' 68' ' ' LEU . 21.7 mt -69.14 151.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 1.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.77 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 1.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 67' ' ' LYS . 61.6 m -111.72 158.2 19.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.451 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . . . -82.99 45.16 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 1.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 t 44.31 33.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' OD1' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -140.53 -56.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 1.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.09 -26.87 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 1.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -70.18 146.04 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.743 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 ' CG2' ' A' ' 60' ' ' ILE . 33.8 mt -103.66 119.62 39.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.756 ' O ' ' CG ' ' A' ' 69' ' ' TYR . 5.5 p90 -131.6 105.06 7.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.13 . . . . 1.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.001 HG11 HD13 ' A' ' 93' ' ' LEU . 2.7 t -71.73 -15.39 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.7 135.17 21.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.565 1.166 . . . . 1.0 110.004 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -15.33 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.187 . . . . 1.0 110.051 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.86 -14.47 19.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 110.221 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.28 103.93 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 142.61 47.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 1.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' LEU . 71.9 m-85 -137.55 175.92 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -112.79 -36.9 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -116.79 155.81 28.32 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.421 1.075 . . . . 1.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.997 HD12 ' CH2' ' A' ' 11' ' ' TRP . 1.0 OUTLIER -57.19 -47.14 81.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.59 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.328 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -44.08 -28.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.577 1.173 . . . . 1.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -72.15 -54.68 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 1.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG13 HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.51 -40.65 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 -56.0 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 1.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 48.9 t60 -70.89 -39.32 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.568 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.742 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 26.3 m-70 -77.03 13.5 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.17 . . . . 1.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 85' ' ' HIS . 22.8 t -96.85 -27.5 14.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.602 1.189 . . . . 1.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.0 p -122.92 -27.95 4.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' VAL . 36.0 t -135.75 81.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 1.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 96' ' ' THR . . . -70.2 77.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.65 10.99 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -76.52 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.639 1.212 . . . . 1.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.001 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -64.37 150.52 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 1.0 109.278 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.889 ' CG1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.29 -89.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 1.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.143 HG23 ' CE2' ' A' ' 33' ' ' PHE . 2.7 t -81.93 -174.76 5.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 1.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 1.001 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.9 p -118.92 119.3 33.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 1.0 110.499 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.713 HD23 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -19.4 138.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 1.0 109.311 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.614 ' N ' ' CE1' ' A' ' 33' ' ' PHE . 67.7 t60 -138.78 -37.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CE2' HD13 ' A' ' 29' ' ' ILE . 40.3 m-85 -120.37 105.78 41.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 1.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.5 ' HA ' ' HB3' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -74.92 80.63 2.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 10' ' ' SER . . . -52.16 108.78 1.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 117.16 4.81 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.572 1.827 . . . . 1.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE2' ' CG ' ' A' ' 13' ' ' HIS . 7.6 mmmt -91.3 62.76 4.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.82 120.72 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -125.39 169.76 17.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.087 . . . . 1.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 107' ' ' HIS . 20.1 tt -78.81 -55.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 1.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' N ' HG23 ' A' ' 106' ' ' ILE . 10.4 p80 -175.72 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -38.02 108.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.007 -1.473 . . . . 1.0 109.3 -179.904 . . . . . . . . 0 0 . 1 stop_ save_